N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

C17H18N2O2S — CID 135521601

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22-11-10-17(21)19-18-12-14-4-2-3-5-16(14)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+
InChIKeyAYCVWNVESASMCJ-LDADJPATSA-N
MW314.41 g/mol
LogP3.33
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 135521601) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID135521601
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22-11-10-17(21)19-18-12-14-4-2-3-5-16(14)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+
InChIKeyAYCVWNVESASMCJ-LDADJPATSA-N
XLogP3.33
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 ≤ 53.33
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

N'-(2-hydroxybenzylidene)-2-[(4-methoxybenzyl)thio]acetohydrazide
CID 135422663
N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide
CID 135455089
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-dithiane-2-carboxamide
CID 135520023
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((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
N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 135599010
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
CID 135408639
2-((2-Hydroxybenzylidene)amino)-6H-1,3,4-thiadiazin-5-OL
CID 135788563

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide (CID 135521601) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is AYCVWNVESASMCJ-LDADJPATSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22-11-10-17(21)19-18-12-14-4-2-3-5-16(14)20/h2-9,12,20H,10-11H2,1H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 314.41 g/mol, XLogP of 3.33, 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]-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 135521601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).