3-pyridin-2-yl-2-thiophen-3-ylbenzamide

C16H12N2OS — CID 67699293

IUPAC3-pyridin-2-yl-2-thiophen-3-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccccn2)c1-c1ccsc1
InChIInChI=1S/C16H12N2OS/c17-16(19)13-5-3-4-12(14-6-1-2-8-18-14)15(13)11-7-9-20-10-11/h1-10H,(H2,17,19)
InChIKeyXFDFILYDBAGMOK-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.58
Rot. Bonds3

About 3-pyridin-2-yl-2-thiophen-3-ylbenzamide

3-pyridin-2-yl-2-thiophen-3-ylbenzamide (PubChem CID 67699293) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-pyridin-2-yl-2-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name3-pyridin-2-yl-2-thiophen-3-ylbenzamide
PubChem CID67699293
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name3-pyridin-2-yl-2-thiophen-3-ylbenzamide
SMILESNC(=O)c1cccc(-c2ccccn2)c1-c1ccsc1
InChIInChI=1S/C16H12N2OS/c17-16(19)13-5-3-4-12(14-6-1-2-8-18-14)15(13)11-7-9-20-10-11/h1-10H,(H2,17,19)
InChIKeyXFDFILYDBAGMOK-UHFFFAOYSA-N
XLogP3.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-2-thiophen-3-ylbenzamide?
The IUPAC name of 3-pyridin-2-yl-2-thiophen-3-ylbenzamide (CID 67699293) is 3-pyridin-2-yl-2-thiophen-3-ylbenzamide.
What is the SMILES notation for 3-pyridin-2-yl-2-thiophen-3-ylbenzamide?
The canonical SMILES for 3-pyridin-2-yl-2-thiophen-3-ylbenzamide is NC(=O)c1cccc(-c2ccccn2)c1-c1ccsc1.
What is the InChIKey of 3-pyridin-2-yl-2-thiophen-3-ylbenzamide?
The InChIKey is XFDFILYDBAGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16(19)13-5-3-4-12(14-6-1-2-8-18-14)15(13)11-7-9-20-10-11/h1-10H,(H2,17,19).
What are the key properties of 3-pyridin-2-yl-2-thiophen-3-ylbenzamide?
3-pyridin-2-yl-2-thiophen-3-ylbenzamide has a molecular weight of 280.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-2-thiophen-3-ylbenzamide is sourced from PubChem (CID 67699293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).