2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide

C25H21FN2O4S — CID 20869342

IUPAC2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C25H21FN2O4S/c1-16-7-10-19(11-8-16)33(31,32)23-14-28(22-12-9-18(26)13-20(22)25(23)30)15-24(29)27-21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyWBCROIOYPZTVHS-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.23
Rot. Bonds5

About 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide

2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 20869342) has the molecular formula C25H21FN2O4S and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID20869342
Molecular FormulaC25H21FN2O4S
Molecular Weight464.52 g/mol
Exact Mass464.12
IUPAC Name2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C25H21FN2O4S/c1-16-7-10-19(11-8-16)33(31,32)23-14-28(22-12-9-18(26)13-20(22)25(23)30)15-24(29)27-21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,27,29)
InChIKeyWBCROIOYPZTVHS-UHFFFAOYSA-N
XLogP4.23
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137119
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
2-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252
N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
6-fluoro-1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874575
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-phenylacetamide
CID 20869218
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
6-fluoro-3-(4-fluorophenyl)sulfonyl-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137247
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 20869342) is 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is WBCROIOYPZTVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4S/c1-16-7-10-19(11-8-16)33(31,32)23-14-28(22-12-9-18(26)13-20(22)25(23)30)15-24(29)27-21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 464.52 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 20869342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).