N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

C14H17NO2S — CID 79252054

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-9(2)11(8-16)15-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyWUFUOONZQFKIIT-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.65
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (PubChem CID 79252054) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
PubChem CID79252054
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C14H17NO2S/c1-9(2)11(8-16)15-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyWUFUOONZQFKIIT-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-1-benzothiophene-2-carboxamide
CID 114177755
N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43393191
N-(1-cyano-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 63931473
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide
CID 63253981
2-(1-benzothiophene-2-carbonylamino)butanoic acid
CID 43388189
(2S)-2-(1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 107821667
N-(2,3-dihydroxypropyl)-1-benzothiophene-2-carboxamide
CID 66176243
N-[1-(2-oxo-1H-pyridin-4-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 146088412
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
2-(1-benzothiophene-2-carbonylamino)-3-phenylpropanoic acid
CID 70557372

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide (CID 79252054) is N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is CC(C)C(CO)NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is WUFUOONZQFKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(2)11(8-16)15-14(17)13-7-10-5-3-4-6-12(10)18-13/h3-7,9,11,16H,8H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79252054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).