2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide

C27H26N2O5S — CID 18559888

IUPAC2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(CC)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-3-19-9-11-20(12-10-19)28-26(30)18-29-17-25(27(31)23-7-5-6-8-24(23)29)35(32,33)22-15-13-21(14-16-22)34-4-2/h5-17H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyLZAYHCMIHSXNFA-UHFFFAOYSA-N
MW490.58 g/mol
LogP4.43
Rot. Bonds8

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

2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 18559888) has the molecular formula C27H26N2O5S and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
PubChem CID18559888
Molecular FormulaC27H26N2O5S
Molecular Weight490.58 g/mol
Exact Mass490.16
IUPAC Name2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(CC)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C27H26N2O5S/c1-3-19-9-11-20(12-10-19)28-26(30)18-29-17-25(27(31)23-7-5-6-8-24(23)29)35(32,33)22-15-13-21(14-16-22)34-4-2/h5-17H,3-4,18H2,1-2H3,(H,28,30)
InChIKeyLZAYHCMIHSXNFA-UHFFFAOYSA-N
XLogP4.43
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 16825265
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
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)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[3-(4-ethylphenyl)sulfonyl-6-methoxy-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 16825252
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
N-(4-chlorophenyl)-2-[3-(3,4-dimethylphenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2137845
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide (CID 18559888) is 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide is CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(CC)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is LZAYHCMIHSXNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5S/c1-3-19-9-11-20(12-10-19)28-26(30)18-29-17-25(27(31)23-7-5-6-8-24(23)29)35(32,33)22-15-13-21(14-16-22)34-4-2/h5-17H,3-4,18H2,1-2H3,(H,28,30).
What are the key properties of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide?
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 490.58 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 18559888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).