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

C24H20FN3O4S — CID 50793120

IUPAC2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1
InChIInChI=1S/C24H20FN3O4S/c1-15-8-10-17(12-20(15)25)27-22(29)14-28-13-21(33(31,32)18-6-4-3-5-7-18)23(30)19-11-9-16(2)26-24(19)28/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyDRHICLPPPVPNGC-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.62
Rot. Bonds5

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

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 50793120) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID50793120
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1
InChIInChI=1S/C24H20FN3O4S/c1-15-8-10-17(12-20(15)25)27-22(29)14-28-13-21(33(31,32)18-6-4-3-5-7-18)23(30)19-11-9-16(2)26-24(19)28/h3-13H,14H2,1-2H3,(H,27,29)
InChIKeyDRHICLPPPVPNGC-UHFFFAOYSA-N
XLogP3.62
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20950165
N-(2-fluorophenyl)-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950196
N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50792939
2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 50793106
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
CID 50793149
2-[3-(2,5-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-ethylphenyl)acetamide
CID 50793014
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
N-(3-fluoro-4-methylphenyl)-2-[7-methyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833218
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-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
N-(3,4-difluorophenyl)-2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929669

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide (CID 50793120) is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is DRHICLPPPVPNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-15-8-10-17(12-20(15)25)27-22(29)14-28-13-21(33(31,32)18-6-4-3-5-7-18)23(30)19-11-9-16(2)26-24(19)28/h3-13H,14H2,1-2H3,(H,27,29).
What are the key properties of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 465.51 g/mol, XLogP of 3.62, 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-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 50793120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).