3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

C16H18N2O3S2 — CID 71805619

IUPAC3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H18N2O3S2/c19-16(17-11-13-5-4-10-22-13)18-9-8-15(12-18)23(20,21)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,17,19)
InChIKeyKWDOSMHOMJHWRI-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.51
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide

3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71805619) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71805619
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC Name3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccs1)N1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C16H18N2O3S2/c19-16(17-11-13-5-4-10-22-13)18-9-8-15(12-18)23(20,21)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,17,19)
InChIKeyKWDOSMHOMJHWRI-UHFFFAOYSA-N
XLogP2.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide 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-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide (CID 71805619) is 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1cccs1)N1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is KWDOSMHOMJHWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(17-11-13-5-4-10-22-13)18-9-8-15(12-18)23(20,21)14-6-2-1-3-7-14/h1-7,10,15H,8-9,11-12H2,(H,17,19).
What are the key properties of 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide?
3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71805619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).