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SDF/Mol File of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide (C21H20N2O2S2)

Identification of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide Chemical Compound

2D chemical structure image of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide
Chemical Formula C21H20N2O2S2
Molecular Weight 396.5257 g/mol
IUPAC Name 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide
SMILES String O=C(CCc1cccs1)Nc3ccc2N(CCCc2c3)C(=O)c4cccs4
InChI InChI=1S/C21H20N2O2S2/c24-20(10-8-17-5-2-12-26-17)22-16-7-9-18-15(14-16)4-1-11-23(18)21(25)19-6-3-13-27-19/h2-3,5-7,9,12-14H,1,4,8,10-11H2,(H,22,24)
InChIKey DXBPQBNNLYIMBF-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

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

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide Molecule

  • Other names (synonyms) or registry numbers of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide

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



    None available.

3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide Identification Summary Frequently Asked Questions (FAQs)

What’s the 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide formula?
C21H20N2O2S2
How many atoms and what elements are included in the 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide molecule?
47 atom(s) - 20 Hydrogen atom(s), 21 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), and 2 Sulfur atom(s)
How many chemical bonds and what kind of bonds are in the 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide structure?
50 bond(s) - 30 non-H bond(s), 18 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 16 aromatic bond(s), 2 five-membered ring(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 1 tertiary amide(s) (aromatic), and 2 Thiophene(s)
What’s the 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide’s molar mass?
396.5257 g/mol
What’s the SMILES structure of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide?
O=C(CCc1cccs1)Nc3ccc2N(CCCc2c3)C(=O)c4cccs4
What’s the InChI code of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide?
InChI=1S/C21H20N2O2S2/c24-20(10-8-17-5-2-12-26-17)22-16-7-9-18-15(14-16)4-1-11-23(18)21(25)19-6-3-13-27-19/h2-3,5-7,9,12-14H,1,4,8,10-11H2,(H,22,24)
What’s the InChIKey format of 3-(thiophen-2-yl)-N-{1-[(thiophen-2-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl}propanamide?
DXBPQBNNLYIMBF-UHFFFAOYSA-N

31 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).

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