N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide

C14H14N2OS — CID 113372729

IUPACN-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H14N2OS/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,9H2,1-2H3,(H,16,17)
InChIKeyIPRYBYFLVQDIIZ-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.18
Rot. Bonds3

About N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide

N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 113372729) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID113372729
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H14N2OS/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,9H2,1-2H3,(H,16,17)
InChIKeyIPRYBYFLVQDIIZ-UHFFFAOYSA-N
XLogP3.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
N-(2-cyanopropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60966657
N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 113462659
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-(2-chloro-4,4-dimethylpentyl)-1-benzothiophene-2-carboxamide
CID 107157129
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide (CID 113372729) is N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide is CC(C)(C#N)CNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is IPRYBYFLVQDIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-7H,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide?
N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 113372729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).