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

C11H11NOS — CID 12547404

IUPAC2-(1-benzothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1csc2ccccc12
InChIInChI=1S/C11H11NOS/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyUWBNBAIABPDLFT-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.19
Rot. Bonds2

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

2-(1-benzothiophen-3-yl)-N-methylacetamide (PubChem CID 12547404) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methylacetamide
PubChem CID12547404
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-(1-benzothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1csc2ccccc12
InChIInChI=1S/C11H11NOS/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7H,6H2,1H3,(H,12,13)
InChIKeyUWBNBAIABPDLFT-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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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methylacetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methylacetamide (CID 12547404) is 2-(1-benzothiophen-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methylacetamide is CNC(=O)Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methylacetamide?
The InChIKey is UWBNBAIABPDLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-12-11(13)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7H,6H2,1H3,(H,12,13).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methylacetamide?
2-(1-benzothiophen-3-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-3-yl)-N-methylacetamide is sourced from PubChem (CID 12547404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).