2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide

C16H13Cl3N2OS — CID 2247274

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccccc1Cl)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-13-4-2-1-3-12(13)9-23-10-16(22)21-20-8-11-5-6-14(18)15(19)7-11/h1-8H,9-10H2,(H,21,22)
InChIKeyJTDGCWKENOZITJ-UHFFFAOYSA-N
MW387.72 g/mol
LogP5.03
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 2247274) has the molecular formula C16H13Cl3N2OS and a molecular weight of 387.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID2247274
Molecular FormulaC16H13Cl3N2OS
Molecular Weight387.72 g/mol
Exact Mass385.98
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESO=C(CSCc1ccccc1Cl)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl3N2OS/c17-13-4-2-1-3-12(13)9-23-10-16(22)21-20-8-11-5-6-14(18)15(19)7-11/h1-8H,9-10H2,(H,21,22)
InChIKeyJTDGCWKENOZITJ-UHFFFAOYSA-N
XLogP5.03
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.72
LogP ≤ 55.03
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

N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 94838596
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 94837776
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029801
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5029805
2-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 93224601
N-[(Z)-benzylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5393530
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
[2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 5474227
N-[(4-fluorophenyl)methylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 758345
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 5437380
N-[(Z)-[4-bromo-1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 92663333

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide (CID 2247274) is 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide is O=C(CSCc1ccccc1Cl)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is JTDGCWKENOZITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3N2OS/c17-13-4-2-1-3-12(13)9-23-10-16(22)21-20-8-11-5-6-14(18)15(19)7-11/h1-8H,9-10H2,(H,21,22).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 387.72 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 2247274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).