2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide

C14H24N4OS — CID 18141254

IUPAC2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-6-10(2)15-12(19)9-20-14-16-13(17-18-14)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyGDQWQPZGEBYNEE-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.86
Rot. Bonds7

About 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide

2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide (PubChem CID 18141254) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide
PubChem CID18141254
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1n[nH]c(C2CCCC2)n1
InChIInChI=1S/C14H24N4OS/c1-3-6-10(2)15-12(19)9-20-14-16-13(17-18-14)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyGDQWQPZGEBYNEE-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide (CID 18141254) is 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1n[nH]c(C2CCCC2)n1.
What is the InChIKey of 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide?
The InChIKey is GDQWQPZGEBYNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-6-10(2)15-12(19)9-20-14-16-13(17-18-14)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide?
2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide has a molecular weight of 296.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 18141254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).