N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide

C13H13NO2S — CID 14877850

IUPACN-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C/C=C/c1cc2ccccc2s1
InChIInChI=1S/C13H13NO2S/c1-10(15)14(16)8-4-6-12-9-11-5-2-3-7-13(11)17-12/h2-7,9,16H,8H2,1H3/b6-4+
InChIKeyXRQVPFATDIHLFU-GQCTYLIASA-N
MW247.32 g/mol
LogP3.15
Rot. Bonds3

About N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide

N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide (PubChem CID 14877850) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide
PubChem CID14877850
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C/C=C/c1cc2ccccc2s1
InChIInChI=1S/C13H13NO2S/c1-10(15)14(16)8-4-6-12-9-11-5-2-3-7-13(11)17-12/h2-7,9,16H,8H2,1H3/b6-4+
InChIKeyXRQVPFATDIHLFU-GQCTYLIASA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.15
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-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide?
The IUPAC name of N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide (CID 14877850) is N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide?
The canonical SMILES for N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide is CC(=O)N(O)C/C=C/c1cc2ccccc2s1.
What is the InChIKey of N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide?
The InChIKey is XRQVPFATDIHLFU-GQCTYLIASA-N. The full InChI is InChI=1S/C13H13NO2S/c1-10(15)14(16)8-4-6-12-9-11-5-2-3-7-13(11)17-12/h2-7,9,16H,8H2,1H3/b6-4+.
What are the key properties of N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide?
N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide has a molecular weight of 247.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1-benzothiophen-2-yl)prop-2-enyl]-N-hydroxyacetamide is sourced from PubChem (CID 14877850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).