2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide

C11H10ClNOS — CID 738611

IUPAC2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNOS/c1-13-11(14)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyONKILPKHIPCROF-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.84
Rot. Bonds2

About 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide

2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide (PubChem CID 738611) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide
PubChem CID738611
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1csc2ccc(Cl)cc12
InChIInChI=1S/C11H10ClNOS/c1-13-11(14)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKeyONKILPKHIPCROF-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide?
The IUPAC name of 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide (CID 738611) is 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide is CNC(=O)Cc1csc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide?
The InChIKey is ONKILPKHIPCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-13-11(14)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5-6H,4H2,1H3,(H,13,14).
What are the key properties of 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide?
2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide has a molecular weight of 239.73 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-benzothiophen-3-yl)-N-methylacetamide is sourced from PubChem (CID 738611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).