N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide

C14H14N2OS — CID 55012555

IUPACN-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-10(7-15)8-16(2)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10H,8H2,1-2H3
InChIKeyFZNKJVVXMQZXAR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.13
Rot. Bonds3

About N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide

N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide (PubChem CID 55012555) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
PubChem CID55012555
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1csc2ccccc12
InChIInChI=1S/C14H14N2OS/c1-10(7-15)8-16(2)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10H,8H2,1-2H3
InChIKeyFZNKJVVXMQZXAR-UHFFFAOYSA-N
XLogP3.13
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
N-(2-cyanopropyl)-3-hydroxy-N,2-dimethylbenzamide
CID 82829304
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
N-(2-cyanopropyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181387
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
3-amino-N-(2-cyanopropyl)-N-methylthiophene-2-carboxamide
CID 61114368

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide (CID 55012555) is N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide is CC(C#N)CN(C)C(=O)c1csc2ccccc12.
What is the InChIKey of N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide?
The InChIKey is FZNKJVVXMQZXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10(7-15)8-16(2)14(17)12-9-18-13-6-4-3-5-11(12)13/h3-6,9-10H,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide?
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 55012555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).