5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C20H18N4O4S2 — CID 2913837

IUPAC5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H18N4O4S2/c25-18-12-14(13-24(18)16-4-2-1-3-5-16)19(26)22-15-6-8-17(9-7-15)30(27,28)23-20-21-10-11-29-20/h1-11,14H,12-13H2,(H,21,23)(H,22,26)
InChIKeyXUQWAMVYMTYUCB-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.94
Rot. Bonds6

About 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2913837) has the molecular formula C20H18N4O4S2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2913837
Molecular FormulaC20H18N4O4S2
Molecular Weight442.52 g/mol
Exact Mass442.08
IUPAC Name5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C20H18N4O4S2/c25-18-12-14(13-24(18)16-4-2-1-3-5-16)19(26)22-15-6-8-17(9-7-15)30(27,28)23-20-21-10-11-29-20/h1-11,14H,12-13H2,(H,21,23)(H,22,26)
InChIKeyXUQWAMVYMTYUCB-UHFFFAOYSA-N
XLogP2.94
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-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 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 2913837) is 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XUQWAMVYMTYUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S2/c25-18-12-14(13-24(18)16-4-2-1-3-5-16)19(26)22-15-6-8-17(9-7-15)30(27,28)23-20-21-10-11-29-20/h1-11,14H,12-13H2,(H,21,23)(H,22,26).
What are the key properties of 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2913837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).