N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

C16H17N3O3S — CID 135476872

IUPACN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1
InChIInChI=1S/C16H17N3O3S/c1-11-5-6-13(14(20)8-11)9-17-18-16(21)10-22-19-12(2)15-4-3-7-23-15/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-9+,19-12+
InChIKeyUNJAFLKVOUSZHJ-OHJMVEGPSA-N
MW331.40 g/mol
LogP2.65
Rot. Bonds6

About N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 135476872) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID135476872
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1
InChIInChI=1S/C16H17N3O3S/c1-11-5-6-13(14(20)8-11)9-17-18-16(21)10-22-19-12(2)15-4-3-7-23-15/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-9+,19-12+
InChIKeyUNJAFLKVOUSZHJ-OHJMVEGPSA-N
XLogP2.65
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 135476872) is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is C/C(=N\OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is UNJAFLKVOUSZHJ-OHJMVEGPSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-5-6-13(14(20)8-11)9-17-18-16(21)10-22-19-12(2)15-4-3-7-23-15/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-9+,19-12+.
What are the key properties of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 331.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 135476872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).