N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

C20H22N4O4S — CID 135431369

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O
InChIInChI=1S/C20H22N4O4S/c25-17-7-3-1-5-15(17)13-21-23-19(27)9-11-29-12-10-20(28)24-22-14-16-6-2-4-8-18(16)26/h1-8,13-14,25-26H,9-12H2,(H,23,27)(H,24,28)/b21-13-,22-14+
InChIKeyOYPNNXRUCQHQII-VOKWCDJLSA-N
MW414.49 g/mol
LogP2.21
Rot. Bonds10

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (PubChem CID 135431369) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
PubChem CID135431369
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESO=C(CCSCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O
InChIInChI=1S/C20H22N4O4S/c25-17-7-3-1-5-15(17)13-21-23-19(27)9-11-29-12-10-20(28)24-22-14-16-6-2-4-8-18(16)26/h1-8,13-14,25-26H,9-12H2,(H,23,27)(H,24,28)/b21-13-,22-14+
InChIKeyOYPNNXRUCQHQII-VOKWCDJLSA-N
XLogP2.21
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Mls002667267
CID 241689
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
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'~1~,N'~3~-bis[(E)-(4-hydroxyphenyl)methylidene]propanedihydrazide
CID 135648265
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (CID 135431369) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is O=C(CCSCCC(=O)N/N=C/c1ccccc1O)N/N=C\c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The InChIKey is OYPNNXRUCQHQII-VOKWCDJLSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-17-7-3-1-5-15(17)13-21-23-19(27)9-11-29-12-10-20(28)24-22-14-16-6-2-4-8-18(16)26/h1-8,13-14,25-26H,9-12H2,(H,23,27)(H,24,28)/b21-13-,22-14+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide has a molecular weight of 414.49 g/mol, XLogP of 2.21, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-[3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 135431369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).