2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

C24H20N2O5S — CID 2137964

IUPAC2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-31-18-11-13-19(14-12-18)32(29,30)22-15-26(21-10-6-5-9-20(21)24(22)28)16-23(27)25-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,27)
InChIKeyXJBWOPLJBZJJHR-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 2137964) has the molecular formula C24H20N2O5S and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID2137964
Molecular FormulaC24H20N2O5S
Molecular Weight448.50 g/mol
Exact Mass448.11
IUPAC Name2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H20N2O5S/c1-31-18-11-13-19(14-12-18)32(29,30)22-15-26(21-10-6-5-9-20(21)24(22)28)16-23(27)25-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,27)
InChIKeyXJBWOPLJBZJJHR-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-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
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
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888
2-[3-(benzenesulfonyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2136643
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
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
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 2137964) is 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is XJBWOPLJBZJJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5S/c1-31-18-11-13-19(14-12-18)32(29,30)22-15-26(21-10-6-5-9-20(21)24(22)28)16-23(27)25-17-7-3-2-4-8-17/h2-15H,16H2,1H3,(H,25,27).
What are the key properties of 2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide 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-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2137964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).