Home SDF/Mol File This Compound
loading

SDF/Mol File of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide (C16H26N2O3S)

Identification of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide Chemical Compound

2D chemical structure image of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide
Chemical Formula C16H26N2O3S
Molecular Weight 326.45424 g/mol
IUPAC Name 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide
SMILES String COCCS(=O)(=O)NCC(N1CCCC1)c2ccc(C)cc2
InChI InChI=1S/C16H26N2O3S/c1-14-5-7-15(8-6-14)16(18-9-3-4-10-18)13-17-22(19,20)12-11-21-2/h5-8,16-17H,3-4,9-13H2,1-2H3
InChIKey ZHFHKLPIFSSGRE-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide 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 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide 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.

3D chemical structure image of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide
Ball-and-stick model of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide

Search Another SDF·MOL File

Enter another compound to search for SDF·MOL file:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide Molecule

  • Other names (synonyms) or registry numbers of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide

    The 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide including the registry numbers are listed below, if available:



    None available.


2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide formula?
C16H26N2O3S
How many atoms and what elements are included in the 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide molecule?
48 atom(s) - 26 Hydrogen atom(s), 16 Carbon atom(s), 2 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide structure?
49 bond(s) - 23 non-H bond(s), 8 multiple bond(s), 8 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 ether(s) (aliphatic), 1 sulfonamide(s) (thio-/dithio-), and 1 Pyrrolidine(s)
What’s the 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide’s molar mass?
326.45424 g/mol
What’s the SMILES structure of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide?
COCCS(=O)(=O)NCC(N1CCCC1)c2ccc(C)cc2
What’s the InChI code of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide?
InChI=1S/C16H26N2O3S/c1-14-5-7-15(8-6-14)16(18-9-3-4-10-18)13-17-22(19,20)12-11-21-2/h5-8,16-17H,3-4,9-13H2,1-2H3
What’s the InChIKey format of 2-methoxy-N-[2-(4-methylphenyl)-2-(pyrrolidin-1-yl)ethyl]ethane-1-sulfonamide?
ZHFHKLPIFSSGRE-UHFFFAOYSA-N

28 The contents of this page can freely be shared if cited as follows:
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).

Subscribe to our newsletter

Join our subscribers list to get the latest news, updates and special offers delivered directly in your inbox.