N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C13H12N2OS2 — CID 2813038

IUPACN-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESN#CCCN(Cc1cccs1)C(=O)c1cccs1
InChIInChI=1S/C13H12N2OS2/c14-6-3-7-15(10-11-4-1-8-17-11)13(16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2
InChIKeyQPEDSUPIGRGMGV-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.37
Rot. Bonds5

About N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 2813038) has the molecular formula C13H12N2OS2 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID2813038
Molecular FormulaC13H12N2OS2
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC NameN-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESN#CCCN(Cc1cccs1)C(=O)c1cccs1
InChIInChI=1S/C13H12N2OS2/c14-6-3-7-15(10-11-4-1-8-17-11)13(16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2
InChIKeyQPEDSUPIGRGMGV-UHFFFAOYSA-N
XLogP3.37
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 2813038) is N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is N#CCCN(Cc1cccs1)C(=O)c1cccs1.
What is the InChIKey of N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is QPEDSUPIGRGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS2/c14-6-3-7-15(10-11-4-1-8-17-11)13(16)12-5-2-9-18-12/h1-2,4-5,8-9H,3,7,10H2.
What are the key properties of N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 276.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 2813038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).