2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide

C24H20N2O5S — CID 20869323

IUPAC2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O5S/c1-31-18-9-7-8-17(14-18)25-23(27)16-26-15-22(24(28)20-12-5-6-13-21(20)26)32(29,30)19-10-3-2-4-11-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeyVJEXDKFATCVAEG-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 20869323) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID20869323
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C24H20N2O5S/c1-31-18-9-7-8-17(14-18)25-23(27)16-26-15-22(24(28)20-12-5-6-13-21(20)26)32(29,30)19-10-3-2-4-11-19/h2-15H,16H2,1H3,(H,25,27)
InChIKeyVJEXDKFATCVAEG-UHFFFAOYSA-N
XLogP3.48
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
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
2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2136643
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 20869323) is 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3ccccc32)c1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is VJEXDKFATCVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-31-18-9-7-8-17(14-18)25-23(27)16-26-15-22(24(28)20-12-5-6-13-21(20)26)32(29,30)19-10-3-2-4-11-19/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 448.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 20869323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).