N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

C19H19Cl2N3O2S — CID 126137502

IUPACN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N\NC(=O)CSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-12(14-6-8-15(9-7-14)22-13(2)25)23-24-19(26)11-27-10-16-17(20)4-3-5-18(16)21/h3-9H,10-11H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyNODIQXXCXAVBOU-FMCGGJTJSA-N
MW424.35 g/mol
LogP4.73
Rot. Bonds7

About N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide

N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (PubChem CID 126137502) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
PubChem CID126137502
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC NameN-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(/C(C)=N\NC(=O)CSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C19H19Cl2N3O2S/c1-12(14-6-8-15(9-7-14)22-13(2)25)23-24-19(26)11-27-10-16-17(20)4-3-5-18(16)21/h3-9H,10-11H2,1-2H3,(H,22,25)(H,24,26)/b23-12-
InChIKeyNODIQXXCXAVBOU-FMCGGJTJSA-N
XLogP4.73
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7309260
2-[(2-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 94863296
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 94837778
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508961
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126131430
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126186044
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126120947
N-(4-methylphenyl)-2-[(2,3,6-trichlorophenyl)methylsulfanyl]acetamide
CID 1193977
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 17297337
N-[1-(3-bromophenyl)ethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 3306494
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 53279072

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide (CID 126137502) is N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is CC(=O)Nc1ccc(/C(C)=N\NC(=O)CSCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
The InChIKey is NODIQXXCXAVBOU-FMCGGJTJSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c1-12(14-6-8-15(9-7-14)22-13(2)25)23-24-19(26)11-27-10-16-17(20)4-3-5-18(16)21/h3-9H,10-11H2,1-2H3,(H,22,25)(H,24,26)/b23-12-.
What are the key properties of N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide?
N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide has a molecular weight of 424.35 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-acetamidophenyl)ethylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 126137502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).