3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide

C16H20N2O4S — CID 71789234

IUPAC3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H20N2O4S/c19-15(8-9-23(21,22)14-4-2-1-3-5-14)17-12-10-16(20)18(11-12)13-6-7-13/h1-5,12-13H,6-11H2,(H,17,19)
InChIKeyTWDKDBJNQFPUNO-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.73
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide

3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide (PubChem CID 71789234) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
PubChem CID71789234
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H20N2O4S/c19-15(8-9-23(21,22)14-4-2-1-3-5-14)17-12-10-16(20)18(11-12)13-6-7-13/h1-5,12-13H,6-11H2,(H,17,19)
InChIKeyTWDKDBJNQFPUNO-UHFFFAOYSA-N
XLogP0.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide 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 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide (CID 71789234) is 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is TWDKDBJNQFPUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15(8-9-23(21,22)14-4-2-1-3-5-14)17-12-10-16(20)18(11-12)13-6-7-13/h1-5,12-13H,6-11H2,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide?
3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 71789234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).