2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C23H27FN2O4S — CID 86934263

IUPAC2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-17-6-10-20(11-7-17)26(16-22(27)25-14-4-3-5-15-25)23(28)18(2)31(29,30)21-12-8-19(24)9-13-21/h6-13,18H,3-5,14-16H2,1-2H3
InChIKeyDGJWPEWHJAWFEL-UHFFFAOYSA-N
MW446.54 g/mol
LogP3.34
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 86934263) has the molecular formula C23H27FN2O4S and a molecular weight of 446.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID86934263
Molecular FormulaC23H27FN2O4S
Molecular Weight446.54 g/mol
Exact Mass446.17
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H27FN2O4S/c1-17-6-10-20(11-7-17)26(16-22(27)25-14-4-3-5-15-25)23(28)18(2)31(29,30)21-12-8-19(24)9-13-21/h6-13,18H,3-5,14-16H2,1-2H3
InChIKeyDGJWPEWHJAWFEL-UHFFFAOYSA-N
XLogP3.34
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 43995378
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
N-(4-fluorophenyl)-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1009849
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-methylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 999977
N-(4-methylphenyl)-4-methylsulfanyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1106328
(3S)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidine-3-carboxylic acid
CID 125147539
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-4-methoxybenzenesulfonamide
CID 2230154
2-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86934267
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
4-fluoro-N-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 1296664
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28580190

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 86934263) is 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is Cc1ccc(N(CC(=O)N2CCCCC2)C(=O)C(C)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is DGJWPEWHJAWFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4S/c1-17-6-10-20(11-7-17)26(16-22(27)25-14-4-3-5-15-25)23(28)18(2)31(29,30)21-12-8-19(24)9-13-21/h6-13,18H,3-5,14-16H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 446.54 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 86934263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).