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

C22H22N4O4S2 — CID 6497644

IUPAC1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1C
InChIInChI=1S/C22H22N4O4S2/c1-14-3-6-18(11-15(14)2)26-13-16(12-20(26)27)21(28)24-17-4-7-19(8-5-17)32(29,30)25-22-23-9-10-31-22/h3-11,16H,12-13H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyKRZNGUHLKHPDTQ-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.55
Rot. Bonds6

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

1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6497644) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6497644
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC Name1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1C
InChIInChI=1S/C22H22N4O4S2/c1-14-3-6-18(11-15(14)2)26-13-16(12-20(26)27)21(28)24-17-4-7-19(8-5-17)32(29,30)25-22-23-9-10-31-22/h3-11,16H,12-13H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyKRZNGUHLKHPDTQ-UHFFFAOYSA-N
XLogP3.55
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6497644) is 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is KRZNGUHLKHPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-14-3-6-18(11-15(14)2)26-13-16(12-20(26)27)21(28)24-17-4-7-19(8-5-17)32(29,30)25-22-23-9-10-31-22/h3-11,16H,12-13H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).