N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

C15H13Br2N3O3S — CID 135515705

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1cccs1
InChIInChI=1S/C15H13Br2N3O3S/c1-9(13-3-2-4-24-13)20-23-8-14(21)19-18-7-10-5-11(16)6-12(17)15(10)22/h2-7,22H,8H2,1H3,(H,19,21)/b18-7+,20-9+
InChIKeyFUNXZSFNVAGNNF-ISUCCWLISA-N
MW475.16 g/mol
LogP3.87
Rot. Bonds6

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (PubChem CID 135515705) has the molecular formula C15H13Br2N3O3S and a molecular weight of 475.16 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
PubChem CID135515705
Molecular FormulaC15H13Br2N3O3S
Molecular Weight475.16 g/mol
Exact Mass472.90
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
SMILESC/C(=N\OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1cccs1
InChIInChI=1S/C15H13Br2N3O3S/c1-9(13-3-2-4-24-13)20-23-8-14(21)19-18-7-10-5-11(16)6-12(17)15(10)22/h2-7,22H,8H2,1H3,(H,19,21)/b18-7+,20-9+
InChIKeyFUNXZSFNVAGNNF-ISUCCWLISA-N
XLogP3.87
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.16
LogP ≤ 53.87
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)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide (CID 135515705) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is C/C(=N\OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)c1cccs1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
The InChIKey is FUNXZSFNVAGNNF-ISUCCWLISA-N. The full InChI is InChI=1S/C15H13Br2N3O3S/c1-9(13-3-2-4-24-13)20-23-8-14(21)19-18-7-10-5-11(16)6-12(17)15(10)22/h2-7,22H,8H2,1H3,(H,19,21)/b18-7+,20-9+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide has a molecular weight of 475.16 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide is sourced from PubChem (CID 135515705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).