2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C14H16N4O2S — CID 40895432

IUPAC2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c([C@H]2CCCO2)n1)Nc1ccccc1
InChIInChI=1S/C14H16N4O2S/c19-12(15-10-5-2-1-3-6-10)9-21-14-16-13(17-18-14)11-7-4-8-20-11/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H,16,17,18)/t11-/m1/s1
InChIKeyJAXPIEYAEVRNEH-LLVKDONJSA-N
MW304.37 g/mol
LogP2.39
Rot. Bonds5

About 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 40895432) has the molecular formula C14H16N4O2S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID40895432
Molecular FormulaC14H16N4O2S
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1n[nH]c([C@H]2CCCO2)n1)Nc1ccccc1
InChIInChI=1S/C14H16N4O2S/c19-12(15-10-5-2-1-3-6-10)9-21-14-16-13(17-18-14)11-7-4-8-20-11/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H,16,17,18)/t11-/m1/s1
InChIKeyJAXPIEYAEVRNEH-LLVKDONJSA-N
XLogP2.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 40895432) is 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1n[nH]c([C@H]2CCCO2)n1)Nc1ccccc1.
What is the InChIKey of 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is JAXPIEYAEVRNEH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-12(15-10-5-2-1-3-6-10)9-21-14-16-13(17-18-14)11-7-4-8-20-11/h1-3,5-6,11H,4,7-9H2,(H,15,19)(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 40895432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).