2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C19H16N4O2S — CID 2238230

IUPAC2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1
InChIInChI=1S/C19H16N4O2S/c20-17(24)12-26-19-22-21-18(23(19)11-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)25-16/h1-10H,11-12H2,(H2,20,24)
InChIKeySOZUJDUYRRFOKV-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.32
Rot. Bonds6

About 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2238230) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2238230
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1
InChIInChI=1S/C19H16N4O2S/c20-17(24)12-26-19-22-21-18(23(19)11-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)25-16/h1-10H,11-12H2,(H2,20,24)
InChIKeySOZUJDUYRRFOKV-UHFFFAOYSA-N
XLogP3.32
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2238230) is 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1.
What is the InChIKey of 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is SOZUJDUYRRFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-17(24)12-26-19-22-21-18(23(19)11-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)25-16/h1-10H,11-12H2,(H2,20,24).
What are the key properties of 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2238230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).