SDF/Mol File 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 |
Structure Data File (SDF/MOL File) Description
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. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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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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Chemical structure of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is available in chemical structure page of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
The chemical formula of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is given 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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InChI (IUPAC International Chemical Identifier) information of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is:
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)
It can provide a standard way to encode the molecular information of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide is:
InChIKey=CFNYXUXOEYKRNX-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide since the full standard InChI cannot be reconstructed from the InChIKey.
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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 named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide including the registry numbers are listed below, 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 N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide formula? |
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C22H30N2O2S |
How many atoms and what elements are included in 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 in 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 molar mass? |
386.5508 g/mol |
What’s the SMILES structure 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 code 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 format of N-[2-(3-methylphenyl)-2-(morpholin-4-yl)ethyl]-5-(thiophen-2-yl)pentanamide? |
CFNYXUXOEYKRNX-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).