2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide

C23H18FN3O4S — CID 20950165

IUPAC2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2n1
InChIInChI=1S/C23H18FN3O4S/c1-15-11-12-17-22(29)20(32(30,31)16-7-3-2-4-8-16)13-27(23(17)25-15)14-21(28)26-19-10-6-5-9-18(19)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyZSKUSZVOGGEQRT-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.32
Rot. Bonds5

About 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 20950165) has the molecular formula C23H18FN3O4S and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID20950165
Molecular FormulaC23H18FN3O4S
Molecular Weight451.48 g/mol
Exact Mass451.10
IUPAC Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2n1
InChIInChI=1S/C23H18FN3O4S/c1-15-11-12-17-22(29)20(32(30,31)16-7-3-2-4-8-16)13-27(23(17)25-15)14-21(28)26-19-10-6-5-9-18(19)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyZSKUSZVOGGEQRT-UHFFFAOYSA-N
XLogP3.32
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950196
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 50793120
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
CID 50793149
N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950215
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-methyl-N-phenylacetamide
CID 50792885
2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 50793106
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50792939
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50793152
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18592071
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940970

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide (CID 20950165) is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccccc3F)c2n1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is ZSKUSZVOGGEQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4S/c1-15-11-12-17-22(29)20(32(30,31)16-7-3-2-4-8-16)13-27(23(17)25-15)14-21(28)26-19-10-6-5-9-18(19)24/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 451.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 20950165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).