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

C27H26N2O5S — CID 16825252

IUPAC2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-4-19-9-12-21(13-10-19)35(32,33)25-16-29(17-26(30)28-23-8-6-5-7-18(23)2)24-14-11-20(34-3)15-22(24)27(25)31/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeySCMCMXITDISTBM-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.35
Rot. Bonds7

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

2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 16825252) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID16825252
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(OC)cc3c2=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-4-19-9-12-21(13-10-19)35(32,33)25-16-29(17-26(30)28-23-8-6-5-7-18(23)2)24-14-11-20(34-3)15-22(24)27(25)31/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeySCMCMXITDISTBM-UHFFFAOYSA-N
XLogP4.35
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[6-fluoro-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 20869342
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869218
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328
1-benzyl-3-(4-ethylphenyl)sulfonyl-6-methoxyquinolin-4-one
CID 18559619
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
N-(2-methoxyphenyl)-2-[6-methyl-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136352
2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137124
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]acetamide
CID 20869253
2-[3-(4-fluorophenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 2136968
2-[3-(4-fluorophenyl)sulfonyl-6-methyl-4-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 2137122
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 16825252) is 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is CCc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(OC)cc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is SCMCMXITDISTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-4-19-9-12-21(13-10-19)35(32,33)25-16-29(17-26(30)28-23-8-6-5-7-18(23)2)24-14-11-20(34-3)15-22(24)27(25)31/h5-16H,4,17H2,1-3H3,(H,28,30).
What are the key properties of 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 490.58 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 16825252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).