N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide

C10H11NO2S — CID 16638956

IUPACN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
SMILESCC(=O)NC1CCc2sccc2C1=O
InChIInChI=1S/C10H11NO2S/c1-6(12)11-8-2-3-9-7(10(8)13)4-5-14-9/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyURSLWUCZYUKTGV-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.38
Rot. Bonds1

About N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide

N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide (PubChem CID 16638956) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
PubChem CID16638956
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide
SMILESCC(=O)NC1CCc2sccc2C1=O
InChIInChI=1S/C10H11NO2S/c1-6(12)11-8-2-3-9-7(10(8)13)4-5-14-9/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyURSLWUCZYUKTGV-UHFFFAOYSA-N
XLogP1.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The IUPAC name of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide (CID 16638956) is N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide.
What is the SMILES notation for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The canonical SMILES for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide is CC(=O)NC1CCc2sccc2C1=O.
What is the InChIKey of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
The InChIKey is URSLWUCZYUKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-6(12)11-8-2-3-9-7(10(8)13)4-5-14-9/h4-5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide?
N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide has a molecular weight of 209.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetamide is sourced from PubChem (CID 16638956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).