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

C16H17N3O3S — CID 2853916

IUPACN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NN=Cc1ccc(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)
InChIKeyUNJAFLKVOUSZHJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.65
Rot. Bonds6

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

N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 2853916) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID2853916
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NN=Cc1ccc(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)
InChIKeyUNJAFLKVOUSZHJ-UHFFFAOYSA-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-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 2853916) is N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)NN=Cc1ccc(C)cc1O)c1cccs1.
What is the InChIKey of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is UNJAFLKVOUSZHJ-UHFFFAOYSA-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).
What are the key properties of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(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-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 2853916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).