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

C13H15NO2S — CID 65109783

IUPACN-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-13(2,16)8-14-12(15)11-7-9-5-3-4-6-10(9)17-11/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyCJTACQCCMMHVON-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.40
Rot. Bonds3

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

N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide (PubChem CID 65109783) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
PubChem CID65109783
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-13(2,16)8-14-12(15)11-7-9-5-3-4-6-10(9)17-11/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyCJTACQCCMMHVON-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 113372729
N-(2,2-difluoro-3-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 113462659
N-(2-chloro-4,4-dimethylpentyl)-1-benzothiophene-2-carboxamide
CID 107157129
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-(2-amino-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119627888
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzothiophene-2-carboxamide
CID 103723346
N-(2,3-dihydroxy-2-methylpropyl)-5-fluoro-1-benzothiophene-2-carboxamide
CID 66170627
N-(2-cyanopropan-2-yl)-1-benzothiophene-2-carboxamide
CID 60966657
1-(1-benzothiophen-2-yl)-3-(4-tert-butylphenyl)propane-1,3-dione
CID 89492280

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide (CID 65109783) is N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide is CC(C)(O)CNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CJTACQCCMMHVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-13(2,16)8-14-12(15)11-7-9-5-3-4-6-10(9)17-11/h3-7,16H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 65109783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).