N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide

C17H15NO2S — CID 75414970

IUPACN-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1csc2ccccc12)C(=O)c1ccccc1O
InChIInChI=1S/C17H15NO2S/c1-18(17(20)14-7-2-4-8-15(14)19)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,19H,10H2,1H3
InChIKeyNYCKVJOWEGIDNJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.88
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide

N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 75414970) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
PubChem CID75414970
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(Cc1csc2ccccc12)C(=O)c1ccccc1O
InChIInChI=1S/C17H15NO2S/c1-18(17(20)14-7-2-4-8-15(14)19)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,19H,10H2,1H3
InChIKeyNYCKVJOWEGIDNJ-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
CID 115166467
1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
2-(2-aminoethyl)-N-(1-benzothiophen-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 120620568
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
4-[1-benzothiophen-3-ylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672892
4-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559866

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide (CID 75414970) is N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide is CN(Cc1csc2ccccc12)C(=O)c1ccccc1O.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is NYCKVJOWEGIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-18(17(20)14-7-2-4-8-15(14)19)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,19H,10H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide?
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 297.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 75414970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).