N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C14H24N4O2S — CID 8628926

IUPACN-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCC(C)CC2)n[nH]c1=O
InChIInChI=1S/C14H24N4O2S/c1-3-8-18-13(20)16-17-14(18)21-9-12(19)15-11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGVIUQTMIYPHRFD-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.77
Rot. Bonds6

About N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8628926) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8628926
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCCn1c(SCC(=O)NC2CCC(C)CC2)n[nH]c1=O
InChIInChI=1S/C14H24N4O2S/c1-3-8-18-13(20)16-17-14(18)21-9-12(19)15-11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyGVIUQTMIYPHRFD-UHFFFAOYSA-N
XLogP1.77
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16322434
N-(2,3-dimethylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3947815
N-(2-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9551927
N-cyclohexyl-N-methyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16326426
N-[1-(1-adamantyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4874818
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2081914
N-[(1S,2R)-2-methylcyclohexyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576490
N-[(1R,2R)-2-methylcyclohexyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576658
N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576661
N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576664
N-cyclohexyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2576802
N-cyclooctyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2650358

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8628926) is N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCCn1c(SCC(=O)NC2CCC(C)CC2)n[nH]c1=O.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GVIUQTMIYPHRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-8-18-13(20)16-17-14(18)21-9-12(19)15-11-6-4-10(2)5-7-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8628926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).