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

C24H19FN2O5S — CID 20869218

IUPAC2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C24H19FN2O5S/c1-32-18-9-12-21-20(13-18)24(29)22(33(30,31)19-10-7-16(25)8-11-19)14-27(21)15-23(28)26-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyKTDNBNZSERBPNV-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.62
Rot. Bonds6

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

2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 20869218) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID20869218
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Name2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C24H19FN2O5S/c1-32-18-9-12-21-20(13-18)24(29)22(33(30,31)19-10-7-16(25)8-11-19)14-27(21)15-23(28)26-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28)
InChIKeyKTDNBNZSERBPNV-UHFFFAOYSA-N
XLogP3.62
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
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-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
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-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
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-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide (CID 20869218) is 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide is COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is KTDNBNZSERBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-32-18-9-12-21-20(13-18)24(29)22(33(30,31)19-10-7-16(25)8-11-19)14-27(21)15-23(28)26-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide?
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 466.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 20869218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).