N-(3-hydroxy-1-benzothiophen-2-yl)acetamide

C10H9NO2S — CID 20624334

IUPACN-(3-hydroxy-1-benzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc2ccccc2c1O
InChIInChI=1S/C10H9NO2S/c1-6(12)11-10-9(13)7-4-2-3-5-8(7)14-10/h2-5,13H,1H3,(H,11,12)
InChIKeyVOJRXBRKDFGPRR-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.57
Rot. Bonds1

About N-(3-hydroxy-1-benzothiophen-2-yl)acetamide

N-(3-hydroxy-1-benzothiophen-2-yl)acetamide (PubChem CID 20624334) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(3-hydroxy-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-benzothiophen-2-yl)acetamide
PubChem CID20624334
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC NameN-(3-hydroxy-1-benzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc2ccccc2c1O
InChIInChI=1S/C10H9NO2S/c1-6(12)11-10-9(13)7-4-2-3-5-8(7)14-10/h2-5,13H,1H3,(H,11,12)
InChIKeyVOJRXBRKDFGPRR-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-benzothiophen-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-1-benzothiophen-2-yl)acetamide (CID 20624334) is N-(3-hydroxy-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-1-benzothiophen-2-yl)acetamide is CC(=O)Nc1sc2ccccc2c1O.
What is the InChIKey of N-(3-hydroxy-1-benzothiophen-2-yl)acetamide?
The InChIKey is VOJRXBRKDFGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-6(12)11-10-9(13)7-4-2-3-5-8(7)14-10/h2-5,13H,1H3,(H,11,12).
What are the key properties of N-(3-hydroxy-1-benzothiophen-2-yl)acetamide?
N-(3-hydroxy-1-benzothiophen-2-yl)acetamide has a molecular weight of 207.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 20624334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).