4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C15H22N2O4S — CID 3163377

IUPAC4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-6-8-14(9-7-13)22(19,20)16(2)12-15(18)17-10-4-5-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyMTRDZEUPZFVRJW-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.33
Rot. Bonds6

About 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 3163377) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID3163377
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-21-13-6-8-14(9-7-13)22(19,20)16(2)12-15(18)17-10-4-5-11-17/h6-9H,3-5,10-12H2,1-2H3
InChIKeyMTRDZEUPZFVRJW-UHFFFAOYSA-N
XLogP1.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide 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 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 3163377) is 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is MTRDZEUPZFVRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-21-13-6-8-14(9-7-13)22(19,20)16(2)12-15(18)17-10-4-5-11-17/h6-9H,3-5,10-12H2,1-2H3.
What are the key properties of 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3163377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).