2-(4-hydroxy-1-benzothiophen-5-yl)acetamide

C10H9NO2S — CID 139979770

IUPAC2-(4-hydroxy-1-benzothiophen-5-yl)acetamide
SMILESNC(=O)Cc1ccc2sccc2c1O
InChIInChI=1S/C10H9NO2S/c11-9(12)5-6-1-2-8-7(10(6)13)3-4-14-8/h1-4,13H,5H2,(H2,11,12)
InChIKeyQJRPSXGMONFRPC-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.63
Rot. Bonds2

About 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide

2-(4-hydroxy-1-benzothiophen-5-yl)acetamide (PubChem CID 139979770) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-1-benzothiophen-5-yl)acetamide
PubChem CID139979770
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name2-(4-hydroxy-1-benzothiophen-5-yl)acetamide
SMILESNC(=O)Cc1ccc2sccc2c1O
InChIInChI=1S/C10H9NO2S/c11-9(12)5-6-1-2-8-7(10(6)13)3-4-14-8/h1-4,13H,5H2,(H2,11,12)
InChIKeyQJRPSXGMONFRPC-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide?
The IUPAC name of 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide (CID 139979770) is 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide?
The canonical SMILES for 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide is NC(=O)Cc1ccc2sccc2c1O.
What is the InChIKey of 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide?
The InChIKey is QJRPSXGMONFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c11-9(12)5-6-1-2-8-7(10(6)13)3-4-14-8/h1-4,13H,5H2,(H2,11,12).
What are the key properties of 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide?
2-(4-hydroxy-1-benzothiophen-5-yl)acetamide has a molecular weight of 207.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-benzothiophen-5-yl)acetamide is sourced from PubChem (CID 139979770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).