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

C21H20N4O5S2 — CID 2911388

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C21H20N4O5S2/c1-30-17-6-4-16(5-7-17)25-13-14(12-19(25)26)20(27)23-15-2-8-18(9-3-15)32(28,29)24-21-22-10-11-31-21/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,27)
InChIKeyWTBSOMGDSHLYLO-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.94
Rot. Bonds7

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

1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2911388) has the molecular formula C21H20N4O5S2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2911388
Molecular FormulaC21H20N4O5S2
Molecular Weight472.55 g/mol
Exact Mass472.09
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C21H20N4O5S2/c1-30-17-6-4-16(5-7-17)25-13-14(12-19(25)26)20(27)23-15-2-8-18(9-3-15)32(28,29)24-21-22-10-11-31-21/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,27)
InChIKeyWTBSOMGDSHLYLO-UHFFFAOYSA-N
XLogP2.94
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 2911388) is 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WTBSOMGDSHLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5S2/c1-30-17-6-4-16(5-7-17)25-13-14(12-19(25)26)20(27)23-15-2-8-18(9-3-15)32(28,29)24-21-22-10-11-31-21/h2-11,14H,12-13H2,1H3,(H,22,24)(H,23,27).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2911388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).