2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide

C15H14N4O2S — CID 46869677

IUPAC2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
InChIInChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyKHIAZVHADWMRSJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.52
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide

2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide (PubChem CID 46869677) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
PubChem CID46869677
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1
InChIInChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20)
InChIKeyKHIAZVHADWMRSJ-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide 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-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide (CID 46869677) is 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
The InChIKey is KHIAZVHADWMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-21-12-4-2-11(3-5-12)10-14(20)18-13-6-9-22-15(13)19-16-7-8-17-19/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[2-(triazol-2-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 46869677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).