2-(2-thiophen-3-ylethynyl)benzamide

C13H9NOS — CID 102191479

IUPAC2-(2-thiophen-3-ylethynyl)benzamide
SMILESNC(=O)c1ccccc1C#Cc1ccsc1
InChIInChI=1S/C13H9NOS/c14-13(15)12-4-2-1-3-11(12)6-5-10-7-8-16-9-10/h1-4,7-9H,(H2,14,15)
InChIKeyZHBPZQDCEQWAIM-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.25
Rot. Bonds1

About 2-(2-thiophen-3-ylethynyl)benzamide

2-(2-thiophen-3-ylethynyl)benzamide (PubChem CID 102191479) has the molecular formula C13H9NOS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethynyl)benzamide.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethynyl)benzamide
PubChem CID102191479
Molecular FormulaC13H9NOS
Molecular Weight227.29 g/mol
Exact Mass227.04
IUPAC Name2-(2-thiophen-3-ylethynyl)benzamide
SMILESNC(=O)c1ccccc1C#Cc1ccsc1
InChIInChI=1S/C13H9NOS/c14-13(15)12-4-2-1-3-11(12)6-5-10-7-8-16-9-10/h1-4,7-9H,(H2,14,15)
InChIKeyZHBPZQDCEQWAIM-UHFFFAOYSA-N
XLogP2.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethynyl)benzamide?
The IUPAC name of 2-(2-thiophen-3-ylethynyl)benzamide (CID 102191479) is 2-(2-thiophen-3-ylethynyl)benzamide.
What is the SMILES notation for 2-(2-thiophen-3-ylethynyl)benzamide?
The canonical SMILES for 2-(2-thiophen-3-ylethynyl)benzamide is NC(=O)c1ccccc1C#Cc1ccsc1.
What is the InChIKey of 2-(2-thiophen-3-ylethynyl)benzamide?
The InChIKey is ZHBPZQDCEQWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS/c14-13(15)12-4-2-1-3-11(12)6-5-10-7-8-16-9-10/h1-4,7-9H,(H2,14,15).
What are the key properties of 2-(2-thiophen-3-ylethynyl)benzamide?
2-(2-thiophen-3-ylethynyl)benzamide has a molecular weight of 227.29 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethynyl)benzamide is sourced from PubChem (CID 102191479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).