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

C15H15N3O3S — CID 2852650

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NN=Cc1ccccc1O)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)
InChIKeyCUIDBMJCPYRULP-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.34
Rot. Bonds6

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

N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (PubChem CID 2852650) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
PubChem CID2852650
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
SMILESCC(=NOCC(=O)NN=Cc1ccccc1O)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)
InChIKeyCUIDBMJCPYRULP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide (CID 2852650) is N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is CC(=NOCC(=O)NN=Cc1ccccc1O)c1cccs1.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
The InChIKey is CUIDBMJCPYRULP-UHFFFAOYSA-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).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide?
N-[(2-hydroxyphenyl)methylideneamino]-2-(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-[(2-hydroxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide is sourced from PubChem (CID 2852650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).