4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

C15H14N2O2S — CID 5404075

IUPAC4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-20-14-8-2-11(3-9-14)10-16-17-15(19)12-4-6-13(18)7-5-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeyDHJHXGUOVSKGMP-MHWRWJLKSA-N
MW286.36 g/mol
LogP2.88
Rot. Bonds4

About 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide (PubChem CID 5404075) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
PubChem CID5404075
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
SMILESCSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O2S/c1-20-14-8-2-11(3-9-14)10-16-17-15(19)12-4-6-13(18)7-5-12/h2-10,18H,1H3,(H,17,19)/b16-10+
InChIKeyDHJHXGUOVSKGMP-MHWRWJLKSA-N
XLogP2.88
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide (CID 5404075) is 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide is CSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
The InChIKey is DHJHXGUOVSKGMP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-20-14-8-2-11(3-9-14)10-16-17-15(19)12-4-6-13(18)7-5-12/h2-10,18H,1H3,(H,17,19)/b16-10+.
What are the key properties of 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide?
4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide has a molecular weight of 286.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5404075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).