N-[2-(1-benzothiophen-3-yl)ethyl]acetamide

C12H13NOS — CID 10798921

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C12H13NOS/c1-9(14)13-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyVECDRHALXOLWFK-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.58
Rot. Bonds3

About N-[2-(1-benzothiophen-3-yl)ethyl]acetamide

N-[2-(1-benzothiophen-3-yl)ethyl]acetamide (PubChem CID 10798921) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]acetamide
PubChem CID10798921
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C12H13NOS/c1-9(14)13-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyVECDRHALXOLWFK-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]acetamide (CID 10798921) is N-[2-(1-benzothiophen-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]acetamide is CC(=O)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]acetamide?
The InChIKey is VECDRHALXOLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9(14)13-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]acetamide?
N-[2-(1-benzothiophen-3-yl)ethyl]acetamide has a molecular weight of 219.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]acetamide is sourced from PubChem (CID 10798921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).