N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

C22H26N4O4S — CID 135408639

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESC/C(=N\NC(=O)CCSCCC(=O)N/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N4O4S/c1-15(17-7-3-5-9-19(17)27)23-25-21(29)11-13-31-14-12-22(30)26-24-16(2)18-8-4-6-10-20(18)28/h3-10,27-28H,11-14H2,1-2H3,(H,25,29)(H,26,30)/b23-15+,24-16+
InChIKeyLRJLDNHNOVGVHH-DFEHQXHXSA-N
MW442.54 g/mol
LogP2.99
Rot. Bonds10

About N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (PubChem CID 135408639) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
PubChem CID135408639
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESC/C(=N\NC(=O)CCSCCC(=O)N/N=C(\C)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C22H26N4O4S/c1-15(17-7-3-5-9-19(17)27)23-25-21(29)11-13-31-14-12-22(30)26-24-16(2)18-8-4-6-10-20(18)28/h3-10,27-28H,11-14H2,1-2H3,(H,25,29)(H,26,30)/b23-15+,24-16+
InChIKeyLRJLDNHNOVGVHH-DFEHQXHXSA-N
XLogP2.99
TPSA123.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.99
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'}

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Related Compounds

N'-(2-hydroxybenzylidene)-2-(phenylthio)acetohydrazide
CID 135422710
2-[(2-chlorobenzyl)sulfanyl]-N'-[1-(2,5-dihydroxyphenyl)ethylidene]acetohydrazide
CID 135460559
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'~2~-bis[1-(3-hydroxyphenyl)ethylidene]ethanedihydrazide
CID 9628663
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
benzyl N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbamodithioate
CID 136086808
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'-[1-(2-Hydroxyphenyl)ethylidene]acetohydrazide
CID 135716777
N'-[(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(phenylthio)acetohydrazide
CID 879985

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (CID 135408639) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is C/C(=N\NC(=O)CCSCCC(=O)N/N=C(\C)c1ccccc1O)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The InChIKey is LRJLDNHNOVGVHH-DFEHQXHXSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-15(17-7-3-5-9-19(17)27)23-25-21(29)11-13-31-14-12-22(30)26-24-16(2)18-8-4-6-10-20(18)28/h3-10,27-28H,11-14H2,1-2H3,(H,25,29)(H,26,30)/b23-15+,24-16+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide has a molecular weight of 442.54 g/mol, XLogP of 2.99, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-3-[3-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 135408639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).