2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide

C25H22N2O6S — CID 2136643

IUPAC2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1cc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C25H22N2O6S/c1-32-21-13-19-20(14-22(21)33-2)27(16-24(28)26-17-9-5-3-6-10-17)15-23(25(19)29)34(30,31)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyCUFSFMCTRRTWKM-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.49
Rot. Bonds7

About 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 2136643) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID2136643
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1cc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C25H22N2O6S/c1-32-21-13-19-20(14-22(21)33-2)27(16-24(28)26-17-9-5-3-6-10-17)15-23(25(19)29)34(30,31)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyCUFSFMCTRRTWKM-UHFFFAOYSA-N
XLogP3.49
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide 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

2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
CID 2136336
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 2136643) is 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide is COc1cc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3)c2cc1OC.
What is the InChIKey of 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is CUFSFMCTRRTWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-32-21-13-19-20(14-22(21)33-2)27(16-24(28)26-17-9-5-3-6-10-17)15-23(25(19)29)34(30,31)18-11-7-4-8-12-18/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 478.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2136643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).