2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C23H22N4O2S — CID 654281

IUPAC2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c1-17-20(13-15-29-17)22-25-26-23(27(22)14-12-18-8-4-2-5-9-18)30-16-21(28)24-19-10-6-3-7-11-19/h2-11,13,15H,12,14,16H2,1H3,(H,24,28)
InChIKeyXQLOEFVXAYYJBU-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.82
Rot. Bonds8

About 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 654281) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID654281
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C23H22N4O2S/c1-17-20(13-15-29-17)22-25-26-23(27(22)14-12-18-8-4-2-5-9-18)30-16-21(28)24-19-10-6-3-7-11-19/h2-11,13,15H,12,14,16H2,1H3,(H,24,28)
InChIKeyXQLOEFVXAYYJBU-UHFFFAOYSA-N
XLogP4.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 654281) is 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is XQLOEFVXAYYJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-17-20(13-15-29-17)22-25-26-23(27(22)14-12-18-8-4-2-5-9-18)30-16-21(28)24-19-10-6-3-7-11-19/h2-11,13,15H,12,14,16H2,1H3,(H,24,28).
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylfuran-3-yl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 654281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).