[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C14H20N2O3S — CID 168681654

IUPAC[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-2-4-12(5-3-11)6-7-16-9-13(8-14(16)17)10-20(15,18)19/h2-5,13H,6-10H2,1H3,(H2,15,18,19)
InChIKeyVBRDPWANRWCOQM-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.67
Rot. Bonds5

About [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681654) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681654
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-2-4-12(5-3-11)6-7-16-9-13(8-14(16)17)10-20(15,18)19/h2-5,13H,6-10H2,1H3,(H2,15,18,19)
InChIKeyVBRDPWANRWCOQM-UHFFFAOYSA-N
XLogP0.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
[1-[2-(4-tert-butylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680607
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[1-[2-(2,5-dichlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681951
[1-[2-(1,3-oxazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682022
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-(2-isoquinolin-1-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682033
1-[2-(4-aminophenyl)ethyl]-4-(bromomethyl)pyrrolidin-2-one
CID 168504969

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681654) is [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1ccc(CCN2CC(CS(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is VBRDPWANRWCOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-2-4-12(5-3-11)6-7-16-9-13(8-14(16)17)10-20(15,18)19/h2-5,13H,6-10H2,1H3,(H2,15,18,19).
What are the key properties of [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).