3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide

C14H12N2OS — CID 2621622

IUPAC3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3
InChIKeyHZEQEOVQQCAXQM-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds3

About 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide

3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2621622) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2621622
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN(Cc1cccs1)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3
InChIKeyHZEQEOVQQCAXQM-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 2621622) is 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide is CN(Cc1cccs1)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HZEQEOVQQCAXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(10-13-6-3-7-18-13)14(17)12-5-2-4-11(8-12)9-15/h2-8H,10H2,1H3.
What are the key properties of 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 256.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2621622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).