N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide

C14H14N2OS — CID 61407019

IUPACN-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H14N2OS/c1-2-5-11(9-15)16-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11H,2,5H2,1H3,(H,16,17)
InChIKeyIOURJVCMQYLJNX-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.32
Rot. Bonds4

About N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide

N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide (PubChem CID 61407019) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
PubChem CID61407019
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
SMILESCCCC(C#N)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H14N2OS/c1-2-5-11(9-15)16-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11H,2,5H2,1H3,(H,16,17)
InChIKeyIOURJVCMQYLJNX-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide 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

N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
N-(2-methylpentylsulfonyl)-1-benzothiophene-2-carboxamide
CID 86941343
(2S)-2-(1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 107821667

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide (CID 61407019) is N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide is CCCC(C#N)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IOURJVCMQYLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-5-11(9-15)16-14(17)13-8-10-6-3-4-7-12(10)18-13/h3-4,6-8,11H,2,5H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide?
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 61407019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).