2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide

C13H17N5O5S2 — CID 112522307

IUPAC2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H17N5O5S2/c1-24(20,21)11-5-3-10(4-6-11)7-14-13(19)9-18-15-8-12(16-18)17-25(2,22)23/h3-6,8H,7,9H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyVFRAYAIAGPPBJU-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.63
Rot. Bonds7

About 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide

2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide (PubChem CID 112522307) has the molecular formula C13H17N5O5S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
PubChem CID112522307
Molecular FormulaC13H17N5O5S2
Molecular Weight387.44 g/mol
Exact Mass387.07
IUPAC Name2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)Nc1cnn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C13H17N5O5S2/c1-24(20,21)11-5-3-10(4-6-11)7-14-13(19)9-18-15-8-12(16-18)17-25(2,22)23/h3-6,8H,7,9H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyVFRAYAIAGPPBJU-UHFFFAOYSA-N
XLogP-0.63
TPSA140.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-aminotriazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 112521930
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
N-benzyl-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112520099
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
methyl N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522309
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152
N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112531411
3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
3-(4-ethylphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784514
2-(2-methoxyethylamino)-N-[(4-methylsulfonylphenyl)methyl]acetamide;hydrochloride
CID 119706515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide (CID 112522307) is 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide is CS(=O)(=O)Nc1cnn(CC(=O)NCc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is VFRAYAIAGPPBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O5S2/c1-24(20,21)11-5-3-10(4-6-11)7-14-13(19)9-18-15-8-12(16-18)17-25(2,22)23/h3-6,8H,7,9H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide?
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of -0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 112522307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).