2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

C14H24N4O2S — CID 21373803

IUPAC2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(C2CCCCC2)n1C
InChIInChI=1S/C14H24N4O2S/c1-18-13(11-6-4-3-5-7-11)16-17-14(18)21-10-12(19)15-8-9-20-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyRGCGVYGYARPFLL-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.72
Rot. Bonds7

About 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 21373803) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID21373803
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CSc1nnc(C2CCCCC2)n1C
InChIInChI=1S/C14H24N4O2S/c1-18-13(11-6-4-3-5-7-11)16-17-14(18)21-10-12(19)15-8-9-20-2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyRGCGVYGYARPFLL-UHFFFAOYSA-N
XLogP1.72
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 9389633
N-cyclopentyl-2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469328
N-cyclopentyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466056
N-(4-bromophenyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17303282
N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21373823
N-[(4-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5181942
N-(2-methoxyethyl)-2-[[5-(3-methoxy-1-methylpyrazol-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16880309
2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 17268105
2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 154905416
methyl 4-(4-chlorophenyl)-2-[[2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 17303280
N-cyclohexyl-3-[1-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
CID 50837244
N-cyclopropyl-2-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126439922

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 21373803) is 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CSc1nnc(C2CCCCC2)n1C.
What is the InChIKey of 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RGCGVYGYARPFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-18-13(11-6-4-3-5-7-11)16-17-14(18)21-10-12(19)15-8-9-20-2/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 21373803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).