5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

C24H31N5O3S — CID 59532288

IUPAC5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCCCCN(CCC)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H31N5O3S/c1-3-5-9-17-28(16-4-2)24(30)23-26-22(18-19-10-7-6-8-11-19)29(27-23)20-12-14-21(15-13-20)33(25,31)32/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H2,25,31,32)
InChIKeyJOPYIUUMTKUWMT-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.55
Rot. Bonds11

About 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 59532288) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID59532288
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCCCCN(CCC)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C24H31N5O3S/c1-3-5-9-17-28(16-4-2)24(30)23-26-22(18-19-10-7-6-8-11-19)29(27-23)20-12-14-21(15-13-20)33(25,31)32/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H2,25,31,32)
InChIKeyJOPYIUUMTKUWMT-UHFFFAOYSA-N
XLogP3.55
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(Benzenesulfonyl)piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 2125711
N-cyclohexyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645135
5-amino-N-[(E)-benzylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155524724
5-amino-N-[(E)-(4-piperidin-1-ylphenyl)methylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155528294
5-amino-N-[(E)-1-phenylethylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155542580
5-amino-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155549558
5-amino-N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 155564617
N-[4-(aminosulfonyl)phenyl]-2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]acetamide
CID 2229104
N-[4-(5-Amino-3-p-tolyl-[1,2,4]triazole-1-sulfonyl)-phenyl]-acetamide
CID 647877
3-[5-(1-ethyl-2-oxo-1,2-dihydropyridin-4-yl)-3-methyl-1H-1,2,4-triazol-1-yl]-4-fluorobenzenesulfonamide
CID 72844140
N-benzyl-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645136
N-(4-methylphenyl)-5-phenyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 90645137

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 59532288) is 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is CCCCCN(CCC)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is JOPYIUUMTKUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-3-5-9-17-28(16-4-2)24(30)23-26-22(18-19-10-7-6-8-11-19)29(27-23)20-12-14-21(15-13-20)33(25,31)32/h6-8,10-15H,3-5,9,16-18H2,1-2H3,(H2,25,31,32).
What are the key properties of 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59532288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).