4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C26H22N2O3S2 — CID 16834893

IUPAC4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S2/c29-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)27-23-14-15-24-22(18-23)8-4-16-28(24)33(30,31)25-9-5-17-32-25/h1-3,5-7,9-15,17-18H,4,8,16H2,(H,27,29)
InChIKeyNKUOLIYMPWOPCS-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.81
Rot. Bonds5

About 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 16834893) has the molecular formula C26H22N2O3S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID16834893
Molecular FormulaC26H22N2O3S2
Molecular Weight474.61 g/mol
Exact Mass474.11
IUPAC Name4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H22N2O3S2/c29-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)27-23-14-15-24-22(18-23)8-4-16-28(24)33(30,31)25-9-5-17-32-25/h1-3,5-7,9-15,17-18H,4,8,16H2,(H,27,29)
InChIKeyNKUOLIYMPWOPCS-UHFFFAOYSA-N
XLogP5.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide 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

3,4-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831231
3,5-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16831226
4-propan-2-yloxy-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27532573
3-bromo-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27545934
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
3,3-dimethyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 7657771
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
2-(4-methoxyphenyl)-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)acetamide
CID 27443267
ethyl 4-oxo-4-[(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)amino]butanoate
CID 30679153
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 16834893) is 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is NKUOLIYMPWOPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S2/c29-26(21-12-10-20(11-13-21)19-6-2-1-3-7-19)27-23-14-15-24-22(18-23)8-4-16-28(24)33(30,31)25-9-5-17-32-25/h1-3,5-7,9-15,17-18H,4,8,16H2,(H,27,29).
What are the key properties of 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 474.61 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 16834893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).