N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide

C14H20N2O3S — CID 100787204

IUPACN-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(CC(=O)N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-15(20(2,18)19)13-7-5-12(6-8-13)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyARJKFAHFKQNURM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide

N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide (PubChem CID 100787204) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide
PubChem CID100787204
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide
SMILESCN(c1ccc(CC(=O)N2CCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-15(20(2,18)19)13-7-5-12(6-8-13)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3
InChIKeyARJKFAHFKQNURM-UHFFFAOYSA-N
XLogP1.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[4-(2-oxo-2-piperidin-1-ylethyl)phenyl]acetamide
CID 110674829
N-cyclopropyl-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786982
N-methyl-N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
CID 100787738
1-pyrrolidin-1-yl-2-(4-sulfanylphenyl)ethanone
CID 107019336
N-methyl-N-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxyphenyl]methanesulfonamide
CID 95554661
N,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 17247239
1-(4-methylpiperazin-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110771273
1-[4-[4-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544487
1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 95895025
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100796093
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
N-(2-methoxyethyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786993

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide (CID 100787204) is N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide is CN(c1ccc(CC(=O)N2CCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide?
The InChIKey is ARJKFAHFKQNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(20(2,18)19)13-7-5-12(6-8-13)11-14(17)16-9-3-4-10-16/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide?
N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 100787204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).