4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide

C15H22N2O4S — CID 893235

IUPAC4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(2)16-22(19,20)14-7-5-13(6-8-14)21-11-15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyWTPMKBLVQXCTIA-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.37
Rot. Bonds6

About 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide

4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide (PubChem CID 893235) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
PubChem CID893235
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-12(2)16-22(19,20)14-7-5-13(6-8-14)21-11-15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyWTPMKBLVQXCTIA-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide 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

Benzenesulfonamide, p-ethoxy-N-(3-morpholinopropyl)-
CID 208532
1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10670246
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide (CID 893235) is 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WTPMKBLVQXCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(2)16-22(19,20)14-7-5-13(6-8-14)21-11-15(18)17-9-3-4-10-17/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide?
4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 893235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).