Home SDF/Mol File This Compound
loading

SDF/Mol File of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide (C21H26N2O3S)

Identification of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide Chemical Compound

2D chemical structure image of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide
Chemical Formula C21H26N2O3S
Molecular Weight 386.50774 g/mol
IUPAC Name N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide
SMILES String CCS(=O)(=O)N2CCCc3cc(NC(=O)CCc1ccc(C)cc1)ccc23
InChI InChI=1S/C21H26N2O3S/c1-3-27(25,26)23-14-4-5-18-15-19(11-12-20(18)23)22-21(24)13-10-17-8-6-16(2)7-9-17/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,24)
InChIKey RBYYILPIEZBSMG-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide 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-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide 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 N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide
Ball-and-stick model of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide

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 N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide Molecule

  • Other names (synonyms) or registry numbers of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide

    The N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide including the registry numbers are listed below, if available:



    None available.


N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide formula?
C21H26N2O3S
How many atoms and what elements are included in the N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide molecule?
53 atom(s) - 26 Hydrogen atom(s), 21 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 N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide structure?
55 bond(s) - 29 non-H bond(s), 15 multiple bond(s), 6 rotatable bond(s), 3 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 sulfonamide(s) (thio-/dithio-)
What’s the N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide’s molar mass?
386.50774 g/mol
What’s the SMILES structure of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide?
CCS(=O)(=O)N2CCCc3cc(NC(=O)CCc1ccc(C)cc1)ccc23
What’s the InChI code of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide?
InChI=1S/C21H26N2O3S/c1-3-27(25,26)23-14-4-5-18-15-19(11-12-20(18)23)22-21(24)13-10-17-8-6-16(2)7-9-17/h6-9,11-12,15H,3-5,10,13-14H2,1-2H3,(H,22,24)
What’s the InChIKey format of N-[1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-(4-methylphenyl)propanamide?
RBYYILPIEZBSMG-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.