N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

C22H20N6O2S — CID 6044882

IUPACN-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESN#Cc1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H20N6O2S/c23-13-17-1-5-19(6-2-17)15-25-27-21(29)9-11-31-12-10-22(30)28-26-16-20-7-3-18(14-24)4-8-20/h1-8,15-16H,9-12H2,(H,27,29)(H,28,30)/b25-15-,26-16-
InChIKeyBWNNAWSSCIYJBW-YXHOTNNGSA-N
MW432.51 g/mol
LogP2.54
Rot. Bonds10

About N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (PubChem CID 6044882) has the molecular formula C22H20N6O2S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
PubChem CID6044882
Molecular FormulaC22H20N6O2S
Molecular Weight432.51 g/mol
Exact Mass432.14
IUPAC NameN-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
SMILESN#Cc1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C22H20N6O2S/c23-13-17-1-5-19(6-2-17)15-25-27-21(29)9-11-31-12-10-22(30)28-26-16-20-7-3-18(14-24)4-8-20/h1-8,15-16H,9-12H2,(H,27,29)(H,28,30)/b25-15-,26-16-
InChIKeyBWNNAWSSCIYJBW-YXHOTNNGSA-N
XLogP2.54
TPSA130.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)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

methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 7326687
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51432860
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5394099
N-[(E)-(4-cyanophenyl)methylideneamino]-4-(4-methoxy-2-methylphenyl)butanamide
CID 90481763
2-(2-chloroanilino)-N-[(4-cyanophenyl)methylideneamino]acetamide
CID 967968
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602
N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 2833020
2-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 5348553

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The IUPAC name of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide (CID 6044882) is N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide.
What is the SMILES notation for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The canonical SMILES for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is N#Cc1ccc(/C=N\NC(=O)CCSCCC(=O)N/N=C\c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
The InChIKey is BWNNAWSSCIYJBW-YXHOTNNGSA-N. The full InChI is InChI=1S/C22H20N6O2S/c23-13-17-1-5-19(6-2-17)15-25-27-21(29)9-11-31-12-10-22(30)28-26-16-20-7-3-18(14-24)4-8-20/h1-8,15-16H,9-12H2,(H,27,29)(H,28,30)/b25-15-,26-16-.
What are the key properties of N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide?
N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide has a molecular weight of 432.51 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-cyanophenyl)methylideneamino]-3-[3-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is sourced from PubChem (CID 6044882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).