N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C16H22N2O4S — CID 962014

IUPACN-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-13(19)14-7-6-8-15(11-14)18(23(2,21)22)12-16(20)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyJJGBPIFQIMPWGK-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.67
Rot. Bonds5

About N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 962014) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID962014
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C16H22N2O4S/c1-13(19)14-7-6-8-15(11-14)18(23(2,21)22)12-16(20)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3
InChIKeyJJGBPIFQIMPWGK-UHFFFAOYSA-N
XLogP1.67
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
CID 11606910
macrocyclic BACE inhibitor, 12
CID 23647411
(2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl]-5-(N-methylmethanesulfonamido)phenyl}formamido)-3-phenylpropyl]amino}-N-(2-methylpropyl)propanamide
CID 11342097
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
2-(4-Benzoyl-piperidin-1-yl)-N-(3,5-dimethyl-phenyl)-acetamide
CID 1437875
N-(4-acetylphenyl)-1-(ethylsulfonyl)-4-piperidinecarboxamide
CID 2953770
N-[3-(4-benzylsulfonylpiperazine-1-carbonyl)phenyl]acetamide
CID 8900561
N-benzyl-N-{2-[(4-methyl-1-piperazinyl)carbonyl]phenyl}methanesulfonamide
CID 1233877
Ethyl 4-{2-[methyl(methylsulfonyl)amino]benzoyl}-1-piperazinecarboxylate
CID 2212317
3-[1-(3-Acetylphenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610116
macrocyclic BACE inhibitor, 11
CID 23647410
N-(3-Acetyl-phenyl)-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 654201

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 962014) is N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CC(=O)c1cccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is JJGBPIFQIMPWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13(19)14-7-6-8-15(11-14)18(23(2,21)22)12-16(20)17-9-4-3-5-10-17/h6-8,11H,3-5,9-10,12H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 962014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).