1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide

C21H26N2O3S — CID 110286886

IUPAC1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17-10-6-7-13-19(17)16-27(25,26)22-20(18-11-4-2-5-12-18)21(24)23-14-8-3-9-15-23/h2,4-7,10-13,20,22H,3,8-9,14-16H2,1H3/t20-/m0/s1
InChIKeyHLKQNMWEVHHRBK-FQEVSTJZSA-N
MW386.52 g/mol
LogP3.17
Rot. Bonds6

About 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide

1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide (PubChem CID 110286886) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
PubChem CID110286886
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c1-17-10-6-7-13-19(17)16-27(25,26)22-20(18-11-4-2-5-12-18)21(24)23-14-8-3-9-15-23/h2,4-7,10-13,20,22H,3,8-9,14-16H2,1H3/t20-/m0/s1
InChIKeyHLKQNMWEVHHRBK-FQEVSTJZSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-1-(2-methylphenyl)methanesulfonamide
CID 110349138
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 110286822
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286837
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propane-1-sulfonamide
CID 110287052
N-[2-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]ethyl]ethanesulfonamide
CID 51107460
5-ethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 110286882
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 110306138

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide (CID 110286886) is 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide?
The InChIKey is HLKQNMWEVHHRBK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-10-6-7-13-19(17)16-27(25,26)22-20(18-11-4-2-5-12-18)21(24)23-14-8-3-9-15-23/h2,4-7,10-13,20,22H,3,8-9,14-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide?
1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]methanesulfonamide is sourced from PubChem (CID 110286886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).