1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide

C18H19N5O3S — CID 39040917

IUPAC1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13-2-6-15(7-3-13)23-12-17(21-22-23)18(24)20-11-10-14-4-8-16(9-5-14)27(19,25)26/h2-9,12H,10-11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyJGZOELBFDNAGSG-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.20
Rot. Bonds6

About 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide

1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 39040917) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
PubChem CID39040917
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1ccc(-n2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2)cc1
InChIInChI=1S/C18H19N5O3S/c1-13-2-6-15(7-3-13)23-12-17(21-22-23)18(24)20-11-10-14-4-8-16(9-5-14)27(19,25)26/h2-9,12H,10-11H2,1H3,(H,20,24)(H2,19,25,26)
InChIKeyJGZOELBFDNAGSG-UHFFFAOYSA-N
XLogP1.20
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-1-(4-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119405590
1-(4-methylphenyl)-N-pentyltriazole-4-carboxamide
CID 20973744
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 165352801
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
1-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445625
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
1-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 86830436

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide (CID 39040917) is 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide is Cc1ccc(-n2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)nn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is JGZOELBFDNAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-13-2-6-15(7-3-13)23-12-17(21-22-23)18(24)20-11-10-14-4-8-16(9-5-14)27(19,25)26/h2-9,12H,10-11H2,1H3,(H,20,24)(H2,19,25,26).
What are the key properties of 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide?
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 39040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).