N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide

C11H11NO2S — CID 115139778

IUPACN-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1csc2ccccc12
InChIInChI=1S/C11H11NO2S/c1-12(11(14)6-13)9-7-15-10-5-3-2-4-8(9)10/h2-5,7,13H,6H2,1H3
InChIKeyPXKUVQKZXAZXSL-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.86
Rot. Bonds2

About N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide

N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide (PubChem CID 115139778) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
PubChem CID115139778
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC NameN-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
SMILESCN(C(=O)CO)c1csc2ccccc12
InChIInChI=1S/C11H11NO2S/c1-12(11(14)6-13)9-7-15-10-5-3-2-4-8(9)10/h2-5,7,13H,6H2,1H3
InChIKeyPXKUVQKZXAZXSL-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
CID 115151908
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
CID 115186945
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
3-[1-benzothiophen-3-yl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042928
1-benzothiophen-3-yl(methyl)cyanamide
CID 117043270
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
ethyl 1-benzothiophene-3-carboxylate
CID 898679

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide?
The IUPAC name of N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide (CID 115139778) is N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide is CN(C(=O)CO)c1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide?
The InChIKey is PXKUVQKZXAZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-12(11(14)6-13)9-7-15-10-5-3-2-4-8(9)10/h2-5,7,13H,6H2,1H3.
What are the key properties of N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide?
N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide has a molecular weight of 221.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115139778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).