2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide

C16H13Cl3N2OS — CID 110525431

IUPAC2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c1-23-15-5-3-12(17)7-11(15)8-16(22)21-20-9-10-2-4-13(18)14(19)6-10/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-
InChIKeyZOAHTYKLPFAYKA-UKWGHVSLSA-N
MW387.72 g/mol
LogP5.06
Rot. Bonds5

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

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 110525431) has the molecular formula C16H13Cl3N2OS and a molecular weight of 387.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID110525431
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72 g/mol
Exact Mass385.98
IUPAC Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESCSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c1-23-15-5-3-12(17)7-11(15)8-16(22)21-20-9-10-2-4-13(18)14(19)6-10/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-
InChIKeyZOAHTYKLPFAYKA-UKWGHVSLSA-N
XLogP5.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.06
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'}

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Related Compounds

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874829
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 110525270
[4-[(Z)-[[2-(5-chloro-2-methylsulfanylphenyl)acetyl]hydrazinylidene]methyl]phenyl] 4-fluorobenzoate
CID 110525385
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-(5-chloro-2-methylsulfanylphenyl)acetamide
CID 110525349
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 110525371
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428714
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 110525339
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (CID 110525431) is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is CSc1ccc(Cl)cc1CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is ZOAHTYKLPFAYKA-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS/c1-23-15-5-3-12(17)7-11(15)8-16(22)21-20-9-10-2-4-13(18)14(19)6-10/h2-7,9H,8H2,1H3,(H,21,22)/b20-9-.
What are the key properties of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 387.72 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 110525431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).