5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

C18H19N5O3S — CID 90645134

IUPAC5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H19N5O3S/c1-12(2)20-18(24)16-21-17(13-6-4-3-5-7-13)23(22-16)14-8-10-15(11-9-14)27(19,25)26/h3-12H,1-2H3,(H,20,24)(H2,19,25,26)
InChIKeyWVLNZLHPDNGOPV-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.72
Rot. Bonds5

About 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 90645134) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID90645134
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C18H19N5O3S/c1-12(2)20-18(24)16-21-17(13-6-4-3-5-7-13)23(22-16)14-8-10-15(11-9-14)27(19,25)26/h3-12H,1-2H3,(H,20,24)(H2,19,25,26)
InChIKeyWVLNZLHPDNGOPV-UHFFFAOYSA-N
XLogP1.72
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 90645134) is 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is CC(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is WVLNZLHPDNGOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12(2)20-18(24)16-21-17(13-6-4-3-5-7-13)23(22-16)14-8-10-15(11-9-14)27(19,25)26/h3-12H,1-2H3,(H,20,24)(H2,19,25,26).
What are the key properties of 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-propan-2-yl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 90645134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).