N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide

C12H11NO2S — CID 115166467

IUPACN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
SMILESCN(Cc1csc2ccccc12)C(=O)C=O
InChIInChI=1S/C12H11NO2S/c1-13(12(15)7-14)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,7-8H,6H2,1H3
InChIKeyIVSGAQPKGSDVFD-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.06
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide

N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide (PubChem CID 115166467) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
PubChem CID115166467
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide
SMILESCN(Cc1csc2ccccc12)C(=O)C=O
InChIInChI=1S/C12H11NO2S/c1-13(12(15)7-14)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,7-8H,6H2,1H3
InChIKeyIVSGAQPKGSDVFD-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-3-ylmethyl)-1,3-dimethylurea
CID 115169299
N-(1-benzothiophen-3-ylmethyl)-1-cyano-N-methylformamide
CID 115172418
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429
N-(1-benzothiophen-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 75414970
N-(1-benzothiophen-3-ylmethyl)-N,4-dimethylpentanamide
CID 86990643
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546
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
(E)-4-[1-benzothiophen-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237240
2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
CID 119956414

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide (CID 115166467) is N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide is CN(Cc1csc2ccccc12)C(=O)C=O.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide?
The InChIKey is IVSGAQPKGSDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-13(12(15)7-14)6-9-8-16-11-5-3-2-4-10(9)11/h2-5,7-8H,6H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide?
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide has a molecular weight of 233.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 115166467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).