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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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).