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

C22H22N4O4S2 — CID 6497561

IUPAC1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O4S2/c1-2-15-3-7-18(8-4-15)26-14-16(13-20(26)27)21(28)24-17-5-9-19(10-6-17)32(29,30)25-22-23-11-12-31-22/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyQCATWCPSWRXCRA-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.50
Rot. Bonds7

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

1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6497561) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6497561
Molecular FormulaC22H22N4O4S2
Molecular Weight470.58 g/mol
Exact Mass470.11
IUPAC Name1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O4S2/c1-2-15-3-7-18(8-4-15)26-14-16(13-20(26)27)21(28)24-17-5-9-19(10-6-17)32(29,30)25-22-23-11-12-31-22/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28)
InChIKeyQCATWCPSWRXCRA-UHFFFAOYSA-N
XLogP3.50
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6497561) is 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is QCATWCPSWRXCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-2-15-3-7-18(8-4-15)26-14-16(13-20(26)27)21(28)24-17-5-9-19(10-6-17)32(29,30)25-22-23-11-12-31-22/h3-12,16H,2,13-14H2,1H3,(H,23,25)(H,24,28).
What are the key properties of 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).