2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

C18H19N5O3S — CID 20865644

IUPAC2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(S(=O)(=O)c3ccccc3)c2N)c(C)c1
InChIInChI=1S/C18H19N5O3S/c1-12-8-9-15(13(2)10-12)20-16(24)11-23-17(19)18(21-22-23)27(25,26)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,24)
InChIKeyHHXBVJQOWMGVGL-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.95
Rot. Bonds5

About 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 20865644) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID20865644
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc(S(=O)(=O)c3ccccc3)c2N)c(C)c1
InChIInChI=1S/C18H19N5O3S/c1-12-8-9-15(13(2)10-12)20-16(24)11-23-17(19)18(21-22-23)27(25,26)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,24)
InChIKeyHHXBVJQOWMGVGL-UHFFFAOYSA-N
XLogP1.95
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 7183450
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
5-amino-1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)triazole-4-carboxamide
CID 20923677
2-[5-amino-4-(benzenesulfonyl)-3-(4-methylanilino)pyrazol-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 91623371
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53366045
5-(benzenesulfonyl)-3-butyltriazol-4-amine
CID 82205572
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 9391486
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 110355965
2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 40655882
N-(2,4-dimethylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 51343025
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 20865644) is 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nnc(S(=O)(=O)c3ccccc3)c2N)c(C)c1.
What is the InChIKey of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is HHXBVJQOWMGVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-12-8-9-15(13(2)10-12)20-16(24)11-23-17(19)18(21-22-23)27(25,26)14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,24).
What are the key properties of 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(benzenesulfonyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 20865644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).