N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C13H17N5O3S — CID 112523889

IUPACN-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c1
InChIInChI=1S/C13H17N5O3S/c1-9-4-10(2)6-11(5-9)14-13(19)8-18-7-12(15-17-18)16-22(3,20)21/h4-7,16H,8H2,1-3H3,(H,14,19)
InChIKeyVHGGVQSUISSQPH-UHFFFAOYSA-N
MW323.38 g/mol
LogP0.91
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112523889) has the molecular formula C13H17N5O3S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112523889
Molecular FormulaC13H17N5O3S
Molecular Weight323.38 g/mol
Exact Mass323.11
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c1
InChIInChI=1S/C13H17N5O3S/c1-9-4-10(2)6-11(5-9)14-13(19)8-18-7-12(15-17-18)16-22(3,20)21/h4-7,16H,8H2,1-3H3,(H,14,19)
InChIKeyVHGGVQSUISSQPH-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

Analyze N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 112523866
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 82201930
N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523267
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521423
N-(1,3-benzoxazol-2-yl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112528206
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
N-(3,5-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112525388
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 112530298

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112523889) is N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is VHGGVQSUISSQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3S/c1-9-4-10(2)6-11(5-9)14-13(19)8-18-7-12(15-17-18)16-22(3,20)21/h4-7,16H,8H2,1-3H3,(H,14,19).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-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-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112523889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).