N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

C18H18Cl2N2OS — CID 94838596

IUPACN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2OS/c1-12-5-13(2)7-15(6-12)10-24-11-18(23)22-21-9-14-3-4-16(19)17(20)8-14/h3-9H,10-11H2,1-2H3,(H,22,23)/b21-9-
InChIKeySUXJDDOMDFYPBL-NKVSQWTQSA-N
MW381.33 g/mol
LogP4.99
Rot. Bonds6

About N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (PubChem CID 94838596) has the molecular formula C18H18Cl2N2OS and a molecular weight of 381.33 g/mol. Its IUPAC name is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
PubChem CID94838596
Molecular FormulaC18H18Cl2N2OS
Molecular Weight381.33 g/mol
Exact Mass380.05
IUPAC NameN-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
SMILESCc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2OS/c1-12-5-13(2)7-15(6-12)10-24-11-18(23)22-21-9-14-3-4-16(19)17(20)8-14/h3-9H,10-11H2,1-2H3,(H,22,23)/b21-9-
InChIKeySUXJDDOMDFYPBL-NKVSQWTQSA-N
XLogP4.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide 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

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 2247274
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137172339
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 92663638
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
N-[(Z)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 92850653
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
N-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 92850650
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide (CID 94838596) is N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is Cc1cc(C)cc(CSCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
The InChIKey is SUXJDDOMDFYPBL-NKVSQWTQSA-N. The full InChI is InChI=1S/C18H18Cl2N2OS/c1-12-5-13(2)7-15(6-12)10-24-11-18(23)22-21-9-14-3-4-16(19)17(20)8-14/h3-9H,10-11H2,1-2H3,(H,22,23)/b21-9-.
What are the key properties of N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide?
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide has a molecular weight of 381.33 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 94838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).