N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide

C15H14N2OS — CID 2813034

IUPACN-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c16-9-5-10-17(12-13-6-2-1-3-7-13)15(18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2
InChIKeyVKEDPCZGXGVKAT-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.30
Rot. Bonds5

About N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide

N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide (PubChem CID 2813034) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
PubChem CID2813034
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide
SMILESN#CCCN(Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C15H14N2OS/c16-9-5-10-17(12-13-6-2-1-3-7-13)15(18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2
InChIKeyVKEDPCZGXGVKAT-UHFFFAOYSA-N
XLogP3.30
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide (CID 2813034) is N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide is N#CCCN(Cc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide?
The InChIKey is VKEDPCZGXGVKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-9-5-10-17(12-13-6-2-1-3-7-13)15(18)14-8-4-11-19-14/h1-4,6-8,11H,5,10,12H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide?
N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2813034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).