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

C21H18N2OS — CID 9166619

IUPAC3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1
InChIInChI=1S/C21H18N2OS/c22-15-18-8-4-9-19(14-18)21(24)23(16-20-10-5-13-25-20)12-11-17-6-2-1-3-7-17/h1-10,13-14H,11-12,16H2
InChIKeyUNDQRZWVHJZNAL-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.50
Rot. Bonds6

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

3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 9166619) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID9166619
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1
InChIInChI=1S/C21H18N2OS/c22-15-18-8-4-9-19(14-18)21(24)23(16-20-10-5-13-25-20)12-11-17-6-2-1-3-7-17/h1-10,13-14H,11-12,16H2
InChIKeyUNDQRZWVHJZNAL-UHFFFAOYSA-N
XLogP4.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide 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 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide (CID 9166619) is 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide is N#Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cccs2)c1.
What is the InChIKey of 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is UNDQRZWVHJZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c22-15-18-8-4-9-19(14-18)21(24)23(16-20-10-5-13-25-20)12-11-17-6-2-1-3-7-17/h1-10,13-14H,11-12,16H2.
What are the key properties of 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide?
3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 346.46 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 9166619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).