N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide

C12H13NO2S — CID 5061934

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO2S/c1-8(13(15)9(2)14)12-7-10-5-3-4-6-11(10)16-12/h3-8,15H,1-2H3
InChIKeyQHXPDZPAJHZYNT-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.20
Rot. Bonds2

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

N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide (PubChem CID 5061934) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide
PubChem CID5061934
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C(C)c1cc2ccccc2s1
InChIInChI=1S/C12H13NO2S/c1-8(13(15)9(2)14)12-7-10-5-3-4-6-11(10)16-12/h3-8,15H,1-2H3
InChIKeyQHXPDZPAJHZYNT-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide (CID 5061934) is N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide is CC(=O)N(O)C(C)c1cc2ccccc2s1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide?
The InChIKey is QHXPDZPAJHZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8(13(15)9(2)14)12-7-10-5-3-4-6-11(10)16-12/h3-8,15H,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide?
N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide has a molecular weight of 235.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 5061934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).