2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide

C19H16N4OS — CID 90666542

IUPAC2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(Cc2csc3ccccc23)nn1)Nc1ccccc1
InChIInChI=1S/C19H16N4OS/c24-19(20-15-6-2-1-3-7-15)12-23-11-16(21-22-23)10-14-13-25-18-9-5-4-8-17(14)18/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyCVHBTIZLSLSURM-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide

2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide (PubChem CID 90666542) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide
PubChem CID90666542
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(Cc2csc3ccccc23)nn1)Nc1ccccc1
InChIInChI=1S/C19H16N4OS/c24-19(20-15-6-2-1-3-7-15)12-23-11-16(21-22-23)10-14-13-25-18-9-5-4-8-17(14)18/h1-9,11,13H,10,12H2,(H,20,24)
InChIKeyCVHBTIZLSLSURM-UHFFFAOYSA-N
XLogP3.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-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-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide (CID 90666542) is 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(Cc2csc3ccccc23)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide?
The InChIKey is CVHBTIZLSLSURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(20-15-6-2-1-3-7-15)12-23-11-16(21-22-23)10-14-13-25-18-9-5-4-8-17(14)18/h1-9,11,13H,10,12H2,(H,20,24).
What are the key properties of 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide?
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide has a molecular weight of 348.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 90666542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).