N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide

C15H16N2O3S2 — CID 7657945

IUPACN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H16N2O3S2/c1-22(19,20)17-8-2-4-11-10-12(6-7-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18)
InChIKeyPXOGVCAKOPNIHT-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.71
Rot. Bonds3

About N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide

N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide (PubChem CID 7657945) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
PubChem CID7657945
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C15H16N2O3S2/c1-22(19,20)17-8-2-4-11-10-12(6-7-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18)
InChIKeyPXOGVCAKOPNIHT-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfonyl-N-[3-(thiophene-2-carbonylamino)phenyl]-2,3-dihydroindole-5-carboxamide
CID 29335269
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
N-cyclopropyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658172
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972
(2-oxo-2-thiophen-2-ylethyl) 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 9061374

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide (CID 7657945) is N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide is CS(=O)(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide?
The InChIKey is PXOGVCAKOPNIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-22(19,20)17-8-2-4-11-10-12(6-7-13(11)17)16-15(18)14-5-3-9-21-14/h3,5-7,9-10H,2,4,8H2,1H3,(H,16,18).
What are the key properties of N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide?
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 7657945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).