2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide

C15H13F3N2O2S — CID 51249787

IUPAC2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C/c1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-10(22-19-9-11-5-4-8-23-11)14(21)20-13-7-3-2-6-12(13)15(16,17)18/h2-10H,1H3,(H,20,21)/b19-9+
InChIKeyXQEGJGCNUIKPQV-DJKKODMXSA-N
MW342.34 g/mol
LogP4.14
Rot. Bonds5

About 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide

2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 51249787) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID51249787
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C/c1cccs1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-10(22-19-9-11-5-4-8-23-11)14(21)20-13-7-3-2-6-12(13)15(16,17)18/h2-10H,1H3,(H,20,21)/b19-9+
InChIKeyXQEGJGCNUIKPQV-DJKKODMXSA-N
XLogP4.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-(thiophen-2-ylmethylideneamino)oxypropanamide
CID 75800080
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
2-[(E)-[2-(2,4-difluoroanilino)-2-oxoethylidene]amino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55870389
(2E)-3-oxo-2-(thiophen-2-ylmethylidene)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 8865261
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 2094304
2-(4-propan-2-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53266331
(2S)-2-[(Z)-(2-methylphenyl)methylideneamino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7670510
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-methylbenzoate
CID 4108022
(E)-N-(2-propan-2-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 874188
2-(3,4-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 13052546

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide (CID 51249787) is 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide is CC(O/N=C/c1cccs1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XQEGJGCNUIKPQV-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-10(22-19-9-11-5-4-8-23-11)14(21)20-13-7-3-2-6-12(13)15(16,17)18/h2-10H,1H3,(H,20,21)/b19-9+.
What are the key properties of 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 342.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-thiophen-2-ylmethylideneamino]oxy-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 51249787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).