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

C13H16N4O2S — CID 2551272

IUPAC2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2)n[nH]c1=O
InChIInChI=1S/C13H16N4O2S/c1-2-8-17-12(19)15-16-13(17)20-9-11(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,19)
InChIKeySUGCKVSVIBSPLW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.71
Rot. Bonds6

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

2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (PubChem CID 2551272) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
PubChem CID2551272
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
SMILESCCCn1c(SCC(=O)Nc2ccccc2)n[nH]c1=O
InChIInChI=1S/C13H16N4O2S/c1-2-8-17-12(19)15-16-13(17)20-9-11(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,19)
InChIKeySUGCKVSVIBSPLW-UHFFFAOYSA-N
XLogP1.71
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide (CID 2551272) is 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is CCCn1c(SCC(=O)Nc2ccccc2)n[nH]c1=O.
What is the InChIKey of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is SUGCKVSVIBSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-8-17-12(19)15-16-13(17)20-9-11(18)14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide?
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 292.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2551272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).