2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide

C17H22N4OS — CID 56720545

IUPAC2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide
SMILESCc1ccccc1SCC(=O)NC1CCC(n2cnnc2)CC1
InChIInChI=1S/C17H22N4OS/c1-13-4-2-3-5-16(13)23-10-17(22)20-14-6-8-15(9-7-14)21-11-18-19-12-21/h2-5,11-12,14-15H,6-10H2,1H3,(H,20,22)
InChIKeyZXSQFBFIZKIKDF-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.98
Rot. Bonds5

About 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide

2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide (PubChem CID 56720545) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide
PubChem CID56720545
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide
SMILESCc1ccccc1SCC(=O)NC1CCC(n2cnnc2)CC1
InChIInChI=1S/C17H22N4OS/c1-13-4-2-3-5-16(13)23-10-17(22)20-14-6-8-15(9-7-14)21-11-18-19-12-21/h2-5,11-12,14-15H,6-10H2,1H3,(H,20,22)
InChIKeyZXSQFBFIZKIKDF-UHFFFAOYSA-N
XLogP2.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(2-aminophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 43249136
2-(2-chlorophenyl)sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 7950418
N-cyclooctyl-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41425166
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 70778374
2-(2,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-4-yl)acetamide
CID 35528661
2-(2-methylphenyl)sulfanyl-N-(3-methylpiperidin-4-yl)acetamide
CID 120556800
(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide
CID 98377882
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide (CID 56720545) is 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide is Cc1ccccc1SCC(=O)NC1CCC(n2cnnc2)CC1.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide?
The InChIKey is ZXSQFBFIZKIKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-4-2-3-5-16(13)23-10-17(22)20-14-6-8-15(9-7-14)21-11-18-19-12-21/h2-5,11-12,14-15H,6-10H2,1H3,(H,20,22).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide?
2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]acetamide is sourced from PubChem (CID 56720545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).