2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

C28H28N2O4S — CID 20869270

IUPAC2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H28N2O4S/c1-5-21-9-13-25-24(15-21)28(32)26(35(33,34)23-12-8-19(3)20(4)14-23)16-30(25)17-27(31)29-22-10-6-18(2)7-11-22/h6-16H,5,17H2,1-4H3,(H,29,31)
InChIKeyARVQXVJIOJBWCK-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.96
Rot. Bonds6

About 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 20869270) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID20869270
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Name2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H28N2O4S/c1-5-21-9-13-25-24(15-21)28(32)26(35(33,34)23-12-8-19(3)20(4)14-23)16-30(25)17-27(31)29-22-10-6-18(2)7-11-22/h6-16H,5,17H2,1-4H3,(H,29,31)
InChIKeyARVQXVJIOJBWCK-UHFFFAOYSA-N
XLogP4.96
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
2-[3-(3,4-dimethylphenyl)sulfonyl-6-fluoro-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16815540
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
6-ethyl-3-(4-methylphenyl)sulfonyl-1-propylquinolin-4-one
CID 18559393
N-(3,5-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50792939
1-butyl-6-ethyl-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 18559410
2-(3-benzoyl-6-ethyl-4-oxoquinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16825289
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
2-[3-(2,5-dimethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-ethylphenyl)acetamide
CID 50793014
2-[6-ethyl-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 16825368

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (CID 20869270) is 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is ARVQXVJIOJBWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-5-21-9-13-25-24(15-21)28(32)26(35(33,34)23-12-8-19(3)20(4)14-23)16-30(25)17-27(31)29-22-10-6-18(2)7-11-22/h6-16H,5,17H2,1-4H3,(H,29,31).
What are the key properties of 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 488.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 20869270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).