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

C26H23FN2O5S — CID 2136978

IUPAC2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1C
InChIInChI=1S/C26H23FN2O5S/c1-3-34-19-10-13-23-21(14-19)26(31)24(35(32,33)20-11-8-18(27)9-12-20)15-29(23)16-25(30)28-22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyWCMIQNHVRXNOGN-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.32
Rot. Bonds7

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

2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 2136978) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID2136978
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC Name2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1C
InChIInChI=1S/C26H23FN2O5S/c1-3-34-19-10-13-23-21(14-19)26(31)24(35(32,33)20-11-8-18(27)9-12-20)15-29(23)16-25(30)28-22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyWCMIQNHVRXNOGN-UHFFFAOYSA-N
XLogP4.32
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonyl]-6-ethoxyquinolin-4(1H)-one
CID 20868637
1-[(2-Chlorophenyl)methyl]-3-(4-fluorophenyl)sulfonyl-6-methoxyquinolin-4-one
CID 2137249
3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
2-[3-(4-fluorobenzoyl)-6-methoxy-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2135407
N-(4-fluorophenyl)-2-[6-methoxy-3-(4-methylbenzoyl)-4-oxoquinolin-1-yl]acetamide
CID 2136208
N-benzyl-6-[(4-ethoxyphenyl)(methyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3604832
N-Benzyl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 15990651
2-(3-(4-ethylbenzoyl)-6-methoxy-4-oxoquinolin-1(4H)-yl)-N-(4-fluorophenyl)acetamide
CID 16009271
1-(2-chlorobenzyl)-6-ethoxy-3-tosylquinolin-4(1H)-one
CID 16009620
6-ethoxy-1-ethyl-3-tosylquinolin-4(1H)-one
CID 18559305
3-[(4-ethoxyphenyl)sulfonyl]quinolin-4(1H)-one
CID 16009072
N-(3-chloro-4-methylphenyl)-2-(6-methoxy-4-oxo-3-(phenylsulfonyl)quinolin-1(4H)-yl)acetamide
CID 16009418

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 2136978) is 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is WCMIQNHVRXNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-3-34-19-10-13-23-21(14-19)26(31)24(35(32,33)20-11-8-18(27)9-12-20)15-29(23)16-25(30)28-22-7-5-4-6-17(22)2/h4-15H,3,16H2,1-2H3,(H,28,30).
What are the key properties of 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 494.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethoxy-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2136978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).