N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide

C13H15NO2S — CID 43393191

IUPACN-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-2-10(8-15)14-13(16)12-7-9-5-3-4-6-11(9)17-12/h3-7,10,15H,2,8H2,1H3,(H,14,16)
InChIKeyJFLLNYQGMFRVRS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.40
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide

N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 43393191) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID43393191
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC NameN-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H15NO2S/c1-2-10(8-15)14-13(16)12-7-9-5-3-4-6-11(9)17-12/h3-7,10,15H,2,8H2,1H3,(H,14,16)
InChIKeyJFLLNYQGMFRVRS-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
N-(1-cyanobutyl)-1-benzothiophene-2-carboxamide
CID 61407019
N-(1-bromo-3-methoxypropan-2-yl)-1-benzothiophene-2-carboxamide
CID 114155290
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
(2S)-2-(1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 107821667
(2S)-2-(1-benzothiophene-2-carbonylamino)hexanoic acid
CID 107144524
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide (CID 43393191) is N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide is CCC(CO)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is JFLLNYQGMFRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-2-10(8-15)14-13(16)12-7-9-5-3-4-6-11(9)17-12/h3-7,10,15H,2,8H2,1H3,(H,14,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide?
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43393191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).