N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide

C14H20N2OS — CID 54940591

IUPACN-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCC#N)CC(C)C)s1
InChIInChI=1S/C14H20N2OS/c1-4-12-6-7-13(18-12)14(17)16(9-5-8-15)10-11(2)3/h6-7,11H,4-5,9-10H2,1-3H3
InChIKeyOTKHORRKWLFBIW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.32
Rot. Bonds6

About N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide

N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 54940591) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID54940591
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCC#N)CC(C)C)s1
InChIInChI=1S/C14H20N2OS/c1-4-12-6-7-13(18-12)14(17)16(9-5-8-15)10-11(2)3/h6-7,11H,4-5,9-10H2,1-3H3
InChIKeyOTKHORRKWLFBIW-UHFFFAOYSA-N
XLogP3.32
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 54940591) is N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide is CCc1ccc(C(=O)N(CCC#N)CC(C)C)s1.
What is the InChIKey of N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is OTKHORRKWLFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-12-6-7-13(18-12)14(17)16(9-5-8-15)10-11(2)3/h6-7,11H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide?
N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-ethyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 54940591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).