2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

C14H19N5O3S — CID 112529256

IUPAC2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C14H19N5O3S/c1-11-5-3-4-6-12(11)7-8-15-14(20)10-19-16-9-13(17-19)18-23(2,21)22/h3-6,9H,7-8,10H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyZQZRPOCDHMIUOX-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.32
Rot. Bonds7

About 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 112529256) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID112529256
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)Cn1ncc(NS(C)(=O)=O)n1
InChIInChI=1S/C14H19N5O3S/c1-11-5-3-4-6-12(11)7-8-15-14(20)10-19-16-9-13(17-19)18-23(2,21)22/h3-6,9H,7-8,10H2,1-2H3,(H,15,20)(H,17,18)
InChIKeyZQZRPOCDHMIUOX-UHFFFAOYSA-N
XLogP0.32
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
2-[4-(methanesulfonamido)triazol-2-yl]-N-[(4-methylsulfonylphenyl)methyl]acetamide
CID 112522307
N-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79756144
N-[2-(2-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112529386
2-(4-acetamidotriazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112528868
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 53054993
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[2-[2-(3-amino-2-methylindol-1-yl)-2-oxoethyl]triazol-4-yl]methanesulfonamide
CID 112527152

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 112529256) is 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)Cn1ncc(NS(C)(=O)=O)n1.
What is the InChIKey of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is ZQZRPOCDHMIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-11-5-3-4-6-12(11)7-8-15-14(20)10-19-16-9-13(17-19)18-23(2,21)22/h3-6,9H,7-8,10H2,1-2H3,(H,15,20)(H,17,18).
What are the key properties of 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)triazol-2-yl]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 112529256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).