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

C16H14N2OS — CID 37484481

IUPAC3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C16H14N2OS/c17-10-12-3-1-4-13(9-12)16(19)18(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14H,6-7,11H2
InChIKeyGQPWISUOJXGGDD-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.42
Rot. Bonds4

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

3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 37484481) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID37484481
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C16H14N2OS/c17-10-12-3-1-4-13(9-12)16(19)18(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14H,6-7,11H2
InChIKeyGQPWISUOJXGGDD-UHFFFAOYSA-N
XLogP3.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyano-N-cyclopropyl-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

Related Compounds

3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
3-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 51981233
2-[(3-cyanobenzoyl)-cyclopropylamino]acetic acid
CID 54946205
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
3-cyano-N-cyclopentyl-N-cyclopropylbenzamide
CID 110872922
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (CID 37484481) is 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is N#Cc1cccc(C(=O)N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GQPWISUOJXGGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-10-12-3-1-4-13(9-12)16(19)18(14-6-7-14)11-15-5-2-8-20-15/h1-5,8-9,14H,6-7,11H2.
What are the key properties of 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 282.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 37484481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).