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

C14H17NO2S — CID 115884348

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17)
InChIKeyFNJAUWLZSRJGKQ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.79
Rot. Bonds3

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

N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide (PubChem CID 115884348) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
PubChem CID115884348
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
SMILESCC(O)C(C)(C)NC(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NO2S/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17)
InChIKeyFNJAUWLZSRJGKQ-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-1-benzothiophene-3-carboxamide
CID 1246729
N-(1-bromo-2-methylpropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114308191
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-(1-bromo-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide
CID 113275632
N-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-3-carboxamide
CID 82726518
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-(1-bromopropan-2-yl)-1-benzothiophene-3-carboxamide
CID 114310766
(2S)-2-(1-benzothiophene-3-carbonylamino)-3-methylbutanoic acid
CID 55012835
N-(2-hydroxy-4-methylpentyl)-1-benzothiophene-3-carboxamide
CID 103770892
N-(3-amino-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 115271656
2-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-one
CID 23618738
N-[(1S)-1-pyridin-2-ylethyl]-1-benzothiophene-3-carboxamide
CID 25343199

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide (CID 115884348) is N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide is CC(O)C(C)(C)NC(=O)c1csc2ccccc12.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide?
The InChIKey is FNJAUWLZSRJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9(16)14(2,3)15-13(17)11-8-18-12-7-5-4-6-10(11)12/h4-9,16H,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide?
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 115884348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).