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

C26H23FN2O5S — CID 2136953

IUPAC2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H23FN2O5S/c1-3-17-4-13-23-22(14-17)26(31)24(35(32,33)21-11-5-18(27)6-12-21)15-29(23)16-25(30)28-19-7-9-20(34-2)10-8-19/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyUWNSESYVLBCXNB-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.18
Rot. Bonds7

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

2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 2136953) has the molecular formula C26H23FN2O5S and a molecular weight of 494.54 g/mol. Its IUPAC name is 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID2136953
Molecular FormulaC26H23FN2O5S
Molecular Weight494.54 g/mol
Exact Mass494.13
IUPAC Name2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C26H23FN2O5S/c1-3-17-4-13-23-22(14-17)26(31)24(35(32,33)21-11-5-18(27)6-12-21)15-29(23)16-25(30)28-19-7-9-20(34-2)10-8-19/h4-15H,3,16H2,1-2H3,(H,28,30)
InChIKeyUWNSESYVLBCXNB-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Diethylsulfamoyl)benzamido]-N-(4-methoxyphenyl)benzamide
CID 4651552
3-[(4-fluorophenyl)sulfonyl]-6-methoxyquinolin-4(1H)-one
CID 9551540
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2136339
1-[2-Fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(4-methoxyanilino)piperidin-2-one
CID 22313515
N-[1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopiperidin-3-yl]-4-methoxybenzamide
CID 22313526
N-(2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)-4-methylbenzenesulfonamide
CID 2980680
4-fluoro-N-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 2998546
N-(4-ethylphenyl)-4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}benzamide
CID 4229425
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24981256
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 24982847
4-[(4-acetylphenyl)sulfonylamino]-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 24982861
3-[(4-fluorophenyl)sulfamoyl]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 25161540

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 2136953) is 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide is CCc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(F)cc1)cn2CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UWNSESYVLBCXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O5S/c1-3-17-4-13-23-22(14-17)26(31)24(35(32,33)21-11-5-18(27)6-12-21)15-29(23)16-25(30)28-19-7-9-20(34-2)10-8-19/h4-15H,3,16H2,1-2H3,(H,28,30).
What are the key properties of 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 494.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2136953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).