2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide

C26H24N2O6S — CID 20869328

IUPAC2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1
InChIInChI=1S/C26H24N2O6S/c1-17-7-10-21(11-8-17)35(31,32)24-15-28(23-12-9-20(34-3)14-22(23)26(24)30)16-25(29)27-18-5-4-6-19(13-18)33-2/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyZAAMSIUOKMGPMH-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.80
Rot. Bonds7

About 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 20869328) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID20869328
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1
InChIInChI=1S/C26H24N2O6S/c1-17-7-10-21(11-8-17)35(31,32)24-15-28(23-12-9-20(34-3)14-22(23)26(24)30)16-25(29)27-18-5-4-6-19(13-18)33-2/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyZAAMSIUOKMGPMH-UHFFFAOYSA-N
XLogP3.80
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-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-(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-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
CID 2136336
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
2-[6-ethoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 16825395

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 20869328) is 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3cc(OC)ccc32)c1.
What is the InChIKey of 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is ZAAMSIUOKMGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-17-7-10-21(11-8-17)35(31,32)24-15-28(23-12-9-20(34-3)14-22(23)26(24)30)16-25(29)27-18-5-4-6-19(13-18)33-2/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 492.55 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 20869328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).