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

C25H23N3O4S — CID 50793149

IUPAC2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C25H23N3O4S/c1-18-12-13-21-24(30)22(33(31,32)20-10-6-3-7-11-20)16-28(25(21)27-18)17-23(29)26-15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17H2,1H3,(H,26,29)
InChIKeyXKCUQNTWSRXVBY-UHFFFAOYSA-N
MW461.54 g/mol
LogP2.90
Rot. Bonds7

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

2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 50793149) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID50793149
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NCCc3ccccc3)c2n1
InChIInChI=1S/C25H23N3O4S/c1-18-12-13-21-24(30)22(33(31,32)20-10-6-3-7-11-20)16-28(25(21)27-18)17-23(29)26-15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17H2,1H3,(H,26,29)
InChIKeyXKCUQNTWSRXVBY-UHFFFAOYSA-N
XLogP2.90
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 52.90
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
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-methyl-N-phenylacetamide
CID 50792885
N-(2-fluorophenyl)-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950196
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50793152
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
N-benzyl-2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]acetamide
CID 53087029
2-[3-(2,5-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-ethylphenyl)acetamide
CID 50793014
N-benzyl-2-[3-(4-ethylbenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929725
N-benzyl-2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929809
methyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940979

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide (CID 50793149) is 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide is Cc1ccc2c(=O)c(S(=O)(=O)c3ccccc3)cn(CC(=O)NCCc3ccccc3)c2n1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is XKCUQNTWSRXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-18-12-13-21-24(30)22(33(31,32)20-10-6-3-7-11-20)16-28(25(21)27-18)17-23(29)26-15-14-19-8-4-2-5-9-19/h2-13,16H,14-15,17H2,1H3,(H,26,29).
What are the key properties of 2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 461.54 g/mol, XLogP of 2.90, 7 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-phenylethyl)acetamide is sourced from PubChem (CID 50793149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).