N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H21N3O4S2 — CID 4803567

IUPACN-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-10-20-17(22)15-3-1-11-21(15)18(23)16-4-2-12-26-16/h2,4-8,12,15H,1,3,9-11H2,(H,20,22)(H2,19,24,25)
InChIKeyPAAHWGVSZXPLKA-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.36
Rot. Bonds6

About N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 4803567) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID4803567
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2C(=O)c2cccs2)cc1
InChIInChI=1S/C18H21N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-10-20-17(22)15-3-1-11-21(15)18(23)16-4-2-12-26-16/h2,4-8,12,15H,1,3,9-11H2,(H,20,22)(H2,19,24,25)
InChIKeyPAAHWGVSZXPLKA-UHFFFAOYSA-N
XLogP1.36
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-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 N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 4803567) is N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2C(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PAAHWGVSZXPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c19-27(24,25)14-7-5-13(6-8-14)9-10-20-17(22)15-3-1-11-21(15)18(23)16-4-2-12-26-16/h2,4-8,12,15H,1,3,9-11H2,(H,20,22)(H2,19,24,25).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 4803567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).