2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

C25H22N2O6S — CID 2137967

IUPAC2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C25H22N2O6S/c1-32-18-8-11-20(12-9-18)34(30,31)23-15-27(16-24(28)26-17-6-4-3-5-7-17)22-13-10-19(33-2)14-21(22)25(23)29/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyXRESVDHTIKWYIU-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.49
Rot. Bonds7

About 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide

2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 2137967) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID2137967
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C25H22N2O6S/c1-32-18-8-11-20(12-9-18)34(30,31)23-15-27(16-24(28)26-17-6-4-3-5-7-17)22-13-10-19(33-2)14-21(22)25(23)29/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyXRESVDHTIKWYIU-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

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Related Compounds

2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
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
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-(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-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 2137967) is 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is COc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is XRESVDHTIKWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-32-18-8-11-20(12-9-18)34(30,31)23-15-27(16-24(28)26-17-6-4-3-5-7-17)22-13-10-19(33-2)14-21(22)25(23)29/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of 2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-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-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 2137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).