Structure & Deep Data of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide (C22H30N2O2S)
Identification of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide Chemical Compound
Chemical Formula | C22H30N2O2S |
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Molecular Weight | 386.5508 g/mol |
IUPAC Name | N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide |
SMILES String | Cc1cccc(c1)C(CNC(=O)CCCCc2cccs2)N3CCOCC3 |
InChI | InChI=1S/C22H30N2O2S/c1-18-6-4-7-19(16-18)21(24-11-13-26-14-12-24)17-23-22(25)10-3-2-8-20-9-5-15-27-20/h4-7,9,15-16,21H,2-3,8,10-14,17H2,1H3,(H,23,25) |
InChIKey | CFNYXUXOEYKRNX-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide molecule contains a total of 59 bond(s). There are 29 non-H bond(s), 12 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Thiophene(s). Images of the chemical structure of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide are given below:
The 2D chemical structure image of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is provided here.
The N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The SMILES string of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is Cc1cccc(c1)C(CNC(=O)CCCCc2cccs2)N3CCOCC3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide.
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Structure Data File (SDF/MOL File) of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The structure data file (SDF/MOL File) of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is available for download in the SDF page of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide, which provides the information about the atoms, bonds, connectivity and coordinates of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide. The N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The molecular formula of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is available in chemical formula page of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The molecular weight of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is available in molecular weight page of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide including the various registry numbers, if available:
None available.
N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide? |
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C22H30N2O2S |
How many atoms and what are the elements included the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide molecule? |
57 atom(s) - 30 Hydrogen atom(s), 22 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Sulfur atom(s) |
How many chemical bonds and what kind of bonds are included the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide structure? |
59 bond(s) - 29 non-H bond(s), 12 multiple bond(s), 9 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Thiophene(s) |
What’s the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide’s molecular weight? |
386.5508 g/mol |
What’s the SMILES code of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide? |
Cc1cccc(c1)C(CNC(=O)CCCCc2cccs2)N3CCOCC3 |
What’s the InChI string of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide? |
InChI=1S/C22H30N2O2S/c1-18-6-4-7-19(16-18)21(24-11-13-26-14-12-24)17-23-22(25)10-3-2-8-20-9-5-15-27-20/h4-7,9,15-16,21H,2-3,8,10-14,17H2,1H3,(H,23,25) |
What’s the InChIKey code of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide? |
CFNYXUXOEYKRNX-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).