N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide

C13H17N5O3S — CID 112522586

IUPACN-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c1C
InChIInChI=1S/C13H17N5O3S/c1-9-5-4-6-11(10(9)2)15-13(19)8-18-14-7-12(16-18)17-22(3,20)21/h4-7H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyPPLMWTIVCFPCDB-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.91
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide (PubChem CID 112522586) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
PubChem CID112522586
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
SMILESCc1cccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c1C
InChIInChI=1S/C13H17N5O3S/c1-9-5-4-6-11(10(9)2)15-13(19)8-18-14-7-12(16-18)17-22(3,20)21/h4-7H,8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyPPLMWTIVCFPCDB-UHFFFAOYSA-N
XLogP0.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112521419
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531411
2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 20921852
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 44823997
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(2,3-dimethylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771325

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide (CID 112522586) is N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide is Cc1cccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The InChIKey is PPLMWTIVCFPCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9-5-4-6-11(10(9)2)15-13(19)8-18-14-7-12(16-18)17-22(3,20)21/h4-7H,8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide has a molecular weight of 323.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide is sourced from PubChem (CID 112522586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).