N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

C15H22N2O3S — CID 846428

IUPACN-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-3-13-8-4-5-9-14(13)17(21(2,19)20)12-15(18)16-10-6-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyMXONRWWUUGUHBF-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.64
Rot. Bonds5

About N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 846428) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID846428
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O3S/c1-3-13-8-4-5-9-14(13)17(21(2,19)20)12-15(18)16-10-6-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyMXONRWWUUGUHBF-UHFFFAOYSA-N
XLogP1.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 846428) is N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CCc1ccccc1N(CC(=O)N1CCCC1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
The InChIKey is MXONRWWUUGUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-13-8-4-5-9-14(13)17(21(2,19)20)12-15(18)16-10-6-7-11-16/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?
N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 846428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).