N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

C15H15N3O3S — CID 135476873

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1ccccc1O)c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-11(14-7-4-8-22-14)18-21-10-15(20)17-16-9-12-5-2-3-6-13(12)19/h2-9,19H,10H2,1H3,(H,17,20)/b16-9+,18-11+
InChIKeyCUIDBMJCPYRULP-QHWSFBBFSA-N
MW317.37 g/mol
LogP2.34
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 135476873) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID135476873
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1ccccc1O)c1cccs1
InChIInChI=1S/C15H15N3O3S/c1-11(14-7-4-8-22-14)18-21-10-15(20)17-16-9-12-5-2-3-6-13(12)19/h2-9,19H,10H2,1H3,(H,17,20)/b16-9+,18-11+
InChIKeyCUIDBMJCPYRULP-QHWSFBBFSA-N
XLogP2.34
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 9614042
N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
N'-(2-hydroxy-4-methylbenzylidene)-2-({[1-(2-thienyl)ethylidene]amino}oxy)acetohydrazide
CID 135476872
N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(phenylthio)acetohydrazide
CID 879985
N'-(2-Hydroxybenzylidene)-2-(2-thienyl)acetohydrazide
CID 135810898
N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 2852650
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 2853916
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
N'-(3,5-dichloro-2-hydroxybenzylidene)-2-({[1-(2-thienyl)ethylidene]amino}oxy)acetohydrazide
CID 135457641
N'-(3,5-dibromo-2-hydroxybenzylidene)-2-({[1-(2-thienyl)ethylidene]amino}oxy)acetohydrazide
CID 135515705
N'-[(3-hydroxy-1-benzothien-2-yl)methylene]-2-{[(1-phenylethylidene)amino]oxy}acetohydrazide
CID 135541816
N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene]-2-(thiophen-2-yl)acetohydrazide
CID 135576862

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 135476873) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is C/C(=N\OCC(=O)N/N=C/c1ccccc1O)c1cccs1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is CUIDBMJCPYRULP-QHWSFBBFSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-11(14-7-4-8-22-14)18-21-10-15(20)17-16-9-12-5-2-3-6-13(12)19/h2-9,19H,10H2,1H3,(H,17,20)/b16-9+,18-11+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 317.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 135476873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).