2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

C14H24N4OS — CID 2171240

IUPAC2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCCCCc1nc(SCC(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C14H24N4OS/c1-2-3-9-12-16-14(18-17-12)20-10-13(19)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyQJAKQPUSLGCKPE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.69
Rot. Bonds7

About 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide

2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (PubChem CID 2171240) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
PubChem CID2171240
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
SMILESCCCCc1nc(SCC(=O)NC2CCCCC2)n[nH]1
InChIInChI=1S/C14H24N4OS/c1-2-3-9-12-16-14(18-17-12)20-10-13(19)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyQJAKQPUSLGCKPE-UHFFFAOYSA-N
XLogP2.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 4832445
N-Cyclopropyl-2-(4-ethyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451308
N-Cyclopentyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451346
N-Cyclohexyl-2-(5-isopropyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 1451347
N-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 2404227
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide
CID 2433934
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-cyclohexylacetamide
CID 2988768
N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469650
2-[(4-amino-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexyl-N-methylpropanamide
CID 16289595
N-tert-butyl-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 848422
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 2601930
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 2603835

Frequently Asked Questions

What is the IUPAC name of 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide (CID 2171240) is 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide is CCCCc1nc(SCC(=O)NC2CCCCC2)n[nH]1.
What is the InChIKey of 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
The InChIKey is QJAKQPUSLGCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-2-3-9-12-16-14(18-17-12)20-10-13(19)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide?
2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide has a molecular weight of 296.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide is sourced from PubChem (CID 2171240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).