5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

C24H24N6O3S — CID 59531673

IUPAC5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1
InChIInChI=1S/C24H24N6O3S/c1-29(15-14-18-8-4-2-5-9-18)24(31)23-27-22(16-19-10-6-3-7-11-19)30(28-23)21-13-12-20(17-26-21)34(25,32)33/h2-13,17H,14-16H2,1H3,(H2,25,32,33)
InChIKeyZMKKLUALVIZIDQ-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.22
Rot. Bonds8

About 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide

5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (PubChem CID 59531673) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
PubChem CID59531673
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1
InChIInChI=1S/C24H24N6O3S/c1-29(15-14-18-8-4-2-5-9-18)24(31)23-27-22(16-19-10-6-3-7-11-19)30(28-23)21-13-12-20(17-26-21)34(25,32)33/h2-13,17H,14-16H2,1H3,(H2,25,32,33)
InChIKeyZMKKLUALVIZIDQ-UHFFFAOYSA-N
XLogP2.22
TPSA124.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide (CID 59531673) is 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is CN(CCc1ccccc1)C(=O)c1nc(Cc2ccccc2)n(-c2ccc(S(N)(=O)=O)cn2)n1.
What is the InChIKey of 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ZMKKLUALVIZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-29(15-14-18-8-4-2-5-9-18)24(31)23-27-22(16-19-10-6-3-7-11-19)30(28-23)21-13-12-20(17-26-21)34(25,32)33/h2-13,17H,14-16H2,1H3,(H2,25,32,33).
What are the key properties of 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide?
5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59531673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).