5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

C22H23N7O4S — CID 59532307

IUPAC5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2nc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)no1
InChIInChI=1S/C22H23N7O4S/c1-3-20-24-18(27-33-20)14-28(2)22(30)21-25-19(13-15-7-5-4-6-8-15)29(26-21)16-9-11-17(12-10-16)34(23,31)32/h4-12H,3,13-14H2,1-2H3,(H2,23,31,32)
InChIKeyANULMKQSPJBBMD-UHFFFAOYSA-N
MW481.54 g/mol
LogP1.72
Rot. Bonds8

About 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide

5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 59532307) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID59532307
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Name5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)c2nc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)no1
InChIInChI=1S/C22H23N7O4S/c1-3-20-24-18(27-33-20)14-28(2)22(30)21-25-19(13-15-7-5-4-6-8-15)29(26-21)16-9-11-17(12-10-16)34(23,31)32/h4-12H,3,13-14H2,1-2H3,(H2,23,31,32)
InChIKeyANULMKQSPJBBMD-UHFFFAOYSA-N
XLogP1.72
TPSA150.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-benzyl-N-(2-hydroxy-2-phenylpropyl)-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 59532280
5-benzyl-N-pentyl-N-propyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 59532288
4-[5-benzyl-3-[[2-hydroxyethyl(methyl)amino]methyl]-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59532157
5-benzyl-N-methyl-N-(2-phenylethyl)-1-(5-sulfamoyl-2-pyridinyl)-1,2,4-triazole-3-carboxamide
CID 59531673
5-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880948
4-[5-benzyl-3-(methoxymethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59531826
5-benzyl-N-[(1-phenylcyclopropyl)methyl]-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide
CID 59531916
4-[5-benzyl-3-[4-(hydroxymethyl)-4-propan-2-ylpiperidine-1-carbonyl]-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59532178
4-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-benzyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59531862
4-[3-(3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine-2-carbonyl)-5-benzyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59532297
4-[5-benzyl-3-[[(4-methoxyphenyl)methylamino]methyl]-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59532018
4-[5-benzyl-3-[(cyclopropylmethylamino)methyl]-1,2,4-triazol-1-yl]benzenesulfonamide
CID 59531769

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide (CID 59532307) is 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is CCc1nc(CN(C)C(=O)c2nc(Cc3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)no1.
What is the InChIKey of 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ANULMKQSPJBBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c1-3-20-24-18(27-33-20)14-28(2)22(30)21-25-19(13-15-7-5-4-6-8-15)29(26-21)16-9-11-17(12-10-16)34(23,31)32/h4-12H,3,13-14H2,1-2H3,(H2,23,31,32).
What are the key properties of 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide?
5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 481.54 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59532307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).