N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C17H18N2O2S — CID 135419558

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2S/c1-13-6-2-3-8-15(13)11-22-12-17(21)19-18-10-14-7-4-5-9-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+
InChIKeyYFUKNQZWSBQEAO-VCHYOVAHSA-N
MW314.41 g/mol
LogP3.08
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 135419558) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID135419558
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2S/c1-13-6-2-3-8-15(13)11-22-12-17(21)19-18-10-14-7-4-5-9-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+
InChIKeyYFUKNQZWSBQEAO-VCHYOVAHSA-N
XLogP3.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.08
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-(phenylthio)acetohydrazide
CID 135422710
2-(9H-fluoren-9-ylsulfanyl)-N'-[(E)-(2-hydroxyphenyl)methylidene]acetohydrazide
CID 135476826
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-[(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'-[(E)-(2-hydroxyphenyl)methylidene]-3-phenylpropanehydrazide
CID 135419539
(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide
CID 136229843
2((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)N'-(2-HO-benzylidene)acetohydrazide
CID 135642140
2-(2,3-dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135452596

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 135419558) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is YFUKNQZWSBQEAO-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13-6-2-3-8-15(13)11-22-12-17(21)19-18-10-14-7-4-5-9-16(14)20/h2-10,20H,11-12H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 3.08, 6 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-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 135419558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).