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

C26H24N2O6S — CID 16825265

IUPAC2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H24N2O6S/c1-3-34-20-12-14-21(15-13-20)35(31,32)24-16-28(23-7-5-4-6-22(23)26(24)30)17-25(29)27-18-8-10-19(33-2)11-9-18/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyDIBVSJUKBYQFDN-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.88
Rot. Bonds8

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

2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 16825265) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID16825265
Molecular FormulaC26H24N2O6S
Molecular Weight492.55 g/mol
Exact Mass492.14
IUPAC Name2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H24N2O6S/c1-3-34-20-12-14-21(15-13-20)35(31,32)24-16-28(23-7-5-4-6-22(23)26(24)30)17-25(29)27-18-8-10-19(33-2)11-9-18/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyDIBVSJUKBYQFDN-UHFFFAOYSA-N
XLogP3.88
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-ethylphenyl)acetamide
CID 18559888
2-[3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137964
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20869284
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
2-[6-methoxy-3-(4-methoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 2137967
2-[3-(benzenesulfonyl)-6-ethoxy-4-oxoquinolin-1-yl]-N-phenylacetamide
CID 20869220
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
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-phenylacetamide
CID 20869218
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2136953
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
2-[6-methoxy-3-(4-methylphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 16825265) is 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide is CCOc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccc(OC)cc3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is DIBVSJUKBYQFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-3-34-20-12-14-21(15-13-20)35(31,32)24-16-28(23-7-5-4-6-22(23)26(24)30)17-25(29)27-18-8-10-19(33-2)11-9-18/h4-16H,3,17H2,1-2H3,(H,27,29).
What are the key properties of 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 492.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16825265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).