N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide

C26H27N3O3S — CID 5429349

IUPACN-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-19-3-7-22(8-4-19)17-33-18-26(31)29-27-15-21-9-13-24(14-10-21)32-16-25(30)28-23-11-5-20(2)6-12-23/h3-15H,16-18H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyYZXMSWHOSVYCEE-JFLMPSFJSA-N
MW461.59 g/mol
LogP4.70
Rot. Bonds10

About N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide (PubChem CID 5429349) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
PubChem CID5429349
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
SMILESCc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C26H27N3O3S/c1-19-3-7-22(8-4-19)17-33-18-26(31)29-27-15-21-9-13-24(14-10-21)32-16-25(30)28-23-11-5-20(2)6-12-23/h3-15H,16-18H2,1-2H3,(H,28,30)(H,29,31)/b27-15+
InChIKeyYZXMSWHOSVYCEE-JFLMPSFJSA-N
XLogP4.70
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
CID 6862809
2-[4-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 6875401
2-[4-(2-{[(4-chlorobenzyl)sulfanyl]acetyl}carbohydrazonoyl)phenoxy]-N-phenylacetamide
CID 6876832
2-(4-tert-butylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6901783
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-methoxyphenoxy)acetohydrazide
CID 9556572
N-Phenyl-2-[4-(phenylacetyl-hydrazonomethyl)-phenoxy]-acetamide
CID 9564307
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3-methylphenoxy)acetohydrazide
CID 6870860
N1-phenyl-2-({2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}thio)acetamide
CID 9584497
2-{4-[2-(cyanoacetyl)carbonohydrazonoyl]phenoxy}-N-(4-fluorophenyl)acetamide
CID 5349373
N''-(4-(2-(4-fluorophenylamino)-2-oxoethoxy)benzylidene)-2-cyanoacetohydrazide
CID 5506952
2-{4-[(2-Benzylsulfanyl-acetyl)-hydrazonomethyl]-phenoxy}-N-p-tolyl-acetamide
CID 9594826
2-(4-{[2-(3,5-Dimethyl-benzylsulfanyl)-acetyl]-hydrazonomethyl}-phenoxy)-N-(2-methoxy-phenyl)-acetamide
CID 9594830

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide (CID 5429349) is N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
The InChIKey is YZXMSWHOSVYCEE-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-19-3-7-22(8-4-19)17-33-18-26(31)29-27-15-21-9-13-24(14-10-21)32-16-25(30)28-23-11-5-20(2)6-12-23/h3-15H,16-18H2,1-2H3,(H,28,30)(H,29,31)/b27-15+.
What are the key properties of N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide has a molecular weight of 461.59 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[(E)-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 5429349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).