N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide

C12H13NO2S — CID 58047144

IUPACN-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2ccc(O)cc2s1
InChIInChI=1S/C12H13NO2S/c1-7(13-8(2)14)11-5-9-3-4-10(15)6-12(9)16-11/h3-7,15H,1-2H3,(H,13,14)
InChIKeyURHRDBSPZDEAAH-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.80
Rot. Bonds2

About N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide

N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide (PubChem CID 58047144) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide
PubChem CID58047144
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc2ccc(O)cc2s1
InChIInChI=1S/C12H13NO2S/c1-7(13-8(2)14)11-5-9-3-4-10(15)6-12(9)16-11/h3-7,15H,1-2H3,(H,13,14)
InChIKeyURHRDBSPZDEAAH-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide (CID 58047144) is N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide is CC(=O)NC(C)c1cc2ccc(O)cc2s1.
What is the InChIKey of N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide?
The InChIKey is URHRDBSPZDEAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-7(13-8(2)14)11-5-9-3-4-10(15)6-12(9)16-11/h3-7,15H,1-2H3,(H,13,14).
What are the key properties of N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide?
N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide has a molecular weight of 235.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 58047144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).