N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide

C24H29FN2O4S — CID 167709108

IUPACN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CCN(C(=O)C(C)C)CC2)c1F
InChIInChI=1S/C24H29FN2O4S/c1-16(2)24(29)27-11-9-20(10-12-27)32(30,31)26-15-22(28)21-14-19(13-17(3)23(21)25)18-7-5-4-6-8-18/h4-8,13-14,16,20,26H,9-12,15H2,1-3H3
InChIKeyCOGGUMOZLIYAIV-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.55
Rot. Bonds7

About N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide

N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide (PubChem CID 167709108) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
PubChem CID167709108
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC NameN-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
SMILESCc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CCN(C(=O)C(C)C)CC2)c1F
InChIInChI=1S/C24H29FN2O4S/c1-16(2)24(29)27-11-9-20(10-12-27)32(30,31)26-15-22(28)21-14-19(13-17(3)23(21)25)18-7-5-4-6-8-18/h4-8,13-14,16,20,26H,9-12,15H2,1-3H3
InChIKeyCOGGUMOZLIYAIV-UHFFFAOYSA-N
XLogP3.55
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]sulfamoyl]piperidine-1-carboxylate
CID 167611676
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
CID 167709101
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 167555981
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
N-[2-(2-methoxy-3-methyl-5-phenylphenyl)-2-oxoethyl]cyclohexanesulfonamide
CID 167622583
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-methylcyclohexane-1-sulfonamide
CID 167570004
3-chloro-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]benzenesulfonamide
CID 167641467
1-cyclohexyl-N-[2-[2-fluoro-5-(3-fluorophenyl)-3-methylphenyl]-2-oxoethyl]methanesulfonamide
CID 167684328
N-[2-(2-fluoro-3-methyl-5-pyridin-3-ylphenyl)-2-oxoethyl]benzenesulfonamide
CID 165054999
N-[2-[3-chloro-2-fluoro-5-(2-fluorophenyl)phenyl]-2-oxoethyl]cyclohexanesulfonamide
CID 167659738
2-fluoro-3-methyl-N'-[(1-methylpiperidin-3-yl)methylsulfonyl]-5-phenylbenzohydrazide
CID 134581224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide?
The IUPAC name of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide (CID 167709108) is N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide.
What is the SMILES notation for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide?
The canonical SMILES for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide is Cc1cc(-c2ccccc2)cc(C(=O)CNS(=O)(=O)C2CCN(C(=O)C(C)C)CC2)c1F.
What is the InChIKey of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide?
The InChIKey is COGGUMOZLIYAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-16(2)24(29)27-11-9-20(10-12-27)32(30,31)26-15-22(28)21-14-19(13-17(3)23(21)25)18-7-5-4-6-8-18/h4-8,13-14,16,20,26H,9-12,15H2,1-3H3.
What are the key properties of N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide?
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide has a molecular weight of 460.57 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide is sourced from PubChem (CID 167709108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).