2-(1-benzothiophen-4-yl)-N-methylacetamide

C11H11NOS — CID 149152256

IUPAC2-(1-benzothiophen-4-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cccc2sccc12
InChIInChI=1S/C11H11NOS/c1-12-11(13)7-8-3-2-4-10-9(8)5-6-14-10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyXJLWRVZFCLHCIK-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.19
Rot. Bonds2

About 2-(1-benzothiophen-4-yl)-N-methylacetamide

2-(1-benzothiophen-4-yl)-N-methylacetamide (PubChem CID 149152256) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(1-benzothiophen-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-4-yl)-N-methylacetamide
PubChem CID149152256
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(1-benzothiophen-4-yl)-N-methylacetamide
SMILESCNC(=O)Cc1cccc2sccc12
InChIInChI=1S/C11H11NOS/c1-12-11(13)7-8-3-2-4-10-9(8)5-6-14-10/h2-6H,7H2,1H3,(H,12,13)
InChIKeyXJLWRVZFCLHCIK-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
CID 21469682
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2-(1-benzothiophen-3-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 16011575
N-[2-(1-benzothiophen-3-yl)ethyl]cyclobutanecarboxamide
CID 44359120
2-(1-benzothiophen-4-yl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 45260001
2-(5-chloro-1-benzothien-3-yl)-N-methylacetamide
CID 738611
N-[(2-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 6618959

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-4-yl)-N-methylacetamide?
The IUPAC name of 2-(1-benzothiophen-4-yl)-N-methylacetamide (CID 149152256) is 2-(1-benzothiophen-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzothiophen-4-yl)-N-methylacetamide is CNC(=O)Cc1cccc2sccc12.
What is the InChIKey of 2-(1-benzothiophen-4-yl)-N-methylacetamide?
The InChIKey is XJLWRVZFCLHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-12-11(13)7-8-3-2-4-10-9(8)5-6-14-10/h2-6H,7H2,1H3,(H,12,13).
What are the key properties of 2-(1-benzothiophen-4-yl)-N-methylacetamide?
2-(1-benzothiophen-4-yl)-N-methylacetamide has a molecular weight of 205.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-4-yl)-N-methylacetamide is sourced from PubChem (CID 149152256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).