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

C16H14N2OS — CID 37484611

IUPAC4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2
InChIKeyWYAGGMZTARRIDX-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.42
Rot. Bonds4

About 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide

4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 37484611) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID37484611
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
SMILESN#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1
InChIInChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2
InChIKeyWYAGGMZTARRIDX-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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide (CID 37484611) is 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is N#Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1.
What is the InChIKey of 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WYAGGMZTARRIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2.
What are the key properties of 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide?
4-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 4-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 37484611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).