N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

C18H14Cl4N4O2S — CID 171981130

IUPACN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C/c1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl4N4O2S/c19-13-5-1-3-11(17(13)21)7-23-25-15(27)9-29-10-16(28)26-24-8-12-4-2-6-14(20)18(12)22/h1-8H,9-10H2,(H,25,27)(H,26,28)/b23-7+,24-8+
InChIKeyZANBOZNSCOCTKV-ZPNKGADNSA-N
MW492.22 g/mol
LogP4.63
Rot. Bonds8

About N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide

N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (PubChem CID 171981130) has the molecular formula C18H14Cl4N4O2S and a molecular weight of 492.22 g/mol. Its IUPAC name is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
PubChem CID171981130
Molecular FormulaC18H14Cl4N4O2S
Molecular Weight492.22 g/mol
Exact Mass489.96
IUPAC NameN-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)N/N=C/c1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C18H14Cl4N4O2S/c19-13-5-1-3-11(17(13)21)7-23-25-15(27)9-29-10-16(28)26-24-8-12-4-2-6-14(20)18(12)22/h1-8H,9-10H2,(H,25,27)(H,26,28)/b23-7+,24-8+
InChIKeyZANBOZNSCOCTKV-ZPNKGADNSA-N
XLogP4.63
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.22
LogP ≤ 54.63
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'}

Analyze N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide 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

N-[(E)-(2,3-dichlorophenyl)methylideneamino]propanamide
CID 154646210
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 6294643
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428711
2-(2,3-dichlorophenoxy)-N-[(E)-(2,3-dichlorophenyl)methylideneamino]acetamide
CID 45055184
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 11573346
N-[(2,3-dichlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 872216
N'-[(2,3-dichlorophenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5033974
4-chloro-N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3496807
N-[(2,3-dichlorophenyl)methylideneamino]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 2263908
N-[2-[2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 3322894
N-[(2,3-dichlorophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 2246193
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide (CID 171981130) is N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)N/N=C/c1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
The InChIKey is ZANBOZNSCOCTKV-ZPNKGADNSA-N. The full InChI is InChI=1S/C18H14Cl4N4O2S/c19-13-5-1-3-11(17(13)21)7-23-25-15(27)9-29-10-16(28)26-24-8-12-4-2-6-14(20)18(12)22/h1-8H,9-10H2,(H,25,27)(H,26,28)/b23-7+,24-8+.
What are the key properties of N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide?
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide has a molecular weight of 492.22 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 171981130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).