N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide

C15H14N2O2S — CID 135422710

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14N2O2S/c18-14-9-5-4-6-12(14)10-16-17-15(19)11-20-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyKAZXHYKPOGAUNF-MHWRWJLKSA-N
MW286.36 g/mol
LogP2.63
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide (PubChem CID 135422710) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide
PubChem CID135422710
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C15H14N2O2S/c18-14-9-5-4-6-12(14)10-16-17-15(19)11-20-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,17,19)/b16-10+
InChIKeyKAZXHYKPOGAUNF-MHWRWJLKSA-N
XLogP2.63
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N'-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide
CID 135422663
N'-(2-hydroxybenzylidene)-2-({[1-(2-thienyl)ethylidene]amino}oxy)acetohydrazide
CID 135476873
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dithiane-2-carboxamide
CID 135520023
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)sulfanyl]propanehydrazide
CID 135521601
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 232434
N-[(2-hydroxyphenyl)methylideneamino]-3-[3-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 232436
N'-[(1E)-(2-methoxyphenyl)methylene]-3-(phenylthio)propanohydrazide
CID 9615853
2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)thio]-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135412057
(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide
CID 136229843

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide (CID 135422710) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide?
The InChIKey is KAZXHYKPOGAUNF-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-14-9-5-4-6-12(14)10-16-17-15(19)11-20-13-7-2-1-3-8-13/h1-10,18H,11H2,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide has a molecular weight of 286.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylsulfanylacetamide is sourced from PubChem (CID 135422710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).