2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide

C12H13NO2S — CID 10847360

IUPAC2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide
SMILESCC(C(=O)N(C)O)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO2S/c1-8(12(14)13(2)15)11-7-9-5-3-4-6-10(9)16-11/h3-8,15H,1-2H3
InChIKeyOMJZYOLFVJFQMC-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.85
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide

2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide (PubChem CID 10847360) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide
PubChem CID10847360
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide
SMILESCC(C(=O)N(C)O)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO2S/c1-8(12(14)13(2)15)11-7-9-5-3-4-6-10(9)16-11/h3-8,15H,1-2H3
InChIKeyOMJZYOLFVJFQMC-UHFFFAOYSA-N
XLogP2.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
N-(1-Benzo[b]thiophen-2-yl-ethyl)-N-hydroxy-acetamide
CID 5061934
1-(Benzo[b]thiophen-7-yl)-N-hydroxycyclopentanecarboxamide
CID 117618986
N,N-dimethyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 2824091
(2-Methylbenzo(b)thien-3-yl)acetamide
CID 595389
N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 25573965
4-fluoro-N-methoxy-N-methylbenzo[b]thiophene-2-carboxamide
CID 55028026
6-Fluoro-N,3-dimethyl-N-(methyloxy)-1-benzothiophene-2-carboxamide
CID 58917900
6-fluoro-2-(N-methoxy-N-methylcarbamoyl)benzo[b]thiophene
CID 86028325
5,7-difluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 86707396
(2S)-3-(1-benzothiophen-2-yl)-N-fluoro-2-methylpropanamide
CID 153438481
1-(6-fluoro-1-benzothiophen-3-yl)-N,N-dimethylcyclopropane-1-carboxamide
CID 171510220

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide?
The IUPAC name of 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide (CID 10847360) is 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide is CC(C(=O)N(C)O)c1cc2ccccc2s1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide?
The InChIKey is OMJZYOLFVJFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8(12(14)13(2)15)11-7-9-5-3-4-6-10(9)16-11/h3-8,15H,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide?
2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide has a molecular weight of 235.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-N-hydroxy-N-methylpropanamide is sourced from PubChem (CID 10847360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).