2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide

C26H25N3O5S — CID 50793069

IUPAC2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H25N3O5S/c1-4-18-6-12-21(13-7-18)35(32,33)23-15-29(26-22(25(23)31)14-5-17(2)27-26)16-24(30)28-19-8-10-20(34-3)11-9-19/h5-15H,4,16H2,1-3H3,(H,28,30)
InChIKeyXEIIMRMOIXHALT-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.75
Rot. Bonds7

About 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 50793069) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID50793069
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H25N3O5S/c1-4-18-6-12-21(13-7-18)35(32,33)23-15-29(26-22(25(23)31)14-5-17(2)27-26)16-24(30)28-19-8-10-20(34-3)11-9-19/h5-15H,4,16H2,1-3H3,(H,28,30)
InChIKeyXEIIMRMOIXHALT-UHFFFAOYSA-N
XLogP3.75
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,5-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-ethylphenyl)acetamide
CID 50793014
2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-ethylphenyl)acetamide
CID 50793106
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50792939
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 50793120
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252
N-(2-fluorophenyl)-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950196
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
2-[3-(benzenesulfonyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide
CID 20950165

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 50793069) is 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide is CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XEIIMRMOIXHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5S/c1-4-18-6-12-21(13-7-18)35(32,33)23-15-29(26-22(25(23)31)14-5-17(2)27-26)16-24(30)28-19-8-10-20(34-3)11-9-19/h5-15H,4,16H2,1-3H3,(H,28,30).
What are the key properties of 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 491.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 50793069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).