N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

C16H18N2O3S2 — CID 16829992

IUPACN-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-4-10-18(14)23(20,21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,17,19)
InChIKeyNRFCWJMWYNVFJT-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.33
Rot. Bonds5

About N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide

N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 16829992) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
PubChem CID16829992
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC NameN-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide
SMILESO=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-4-10-18(14)23(20,21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,17,19)
InChIKeyNRFCWJMWYNVFJT-UHFFFAOYSA-N
XLogP2.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide 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-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide (CID 16829992) is N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is O=C(NCC1CCCN1S(=O)(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is NRFCWJMWYNVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-4-10-18(14)23(20,21)15-9-5-11-22-15/h1-3,5-7,9,11,14H,4,8,10,12H2,(H,17,19).
What are the key properties of N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide?
N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 350.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 16829992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).