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

C16H14Cl2N2OS — CID 3639982

IUPACN-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS/c17-14-5-1-3-12(7-14)9-19-20-16(21)11-22-10-13-4-2-6-15(18)8-13/h1-9H,10-11H2,(H,20,21)
InChIKeyUZOGXUDXFVXBHG-UHFFFAOYSA-N
MW353.27 g/mol
LogP4.38
Rot. Bonds6

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

N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 3639982) has the molecular formula C16H14Cl2N2OS and a molecular weight of 353.27 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
PubChem CID3639982
Molecular FormulaC16H14Cl2N2OS
Molecular Weight353.27 g/mol
Exact Mass352.02
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C16H14Cl2N2OS/c17-14-5-1-3-12(7-14)9-19-20-16(21)11-22-10-13-4-2-6-15(18)8-13/h1-9H,10-11H2,(H,20,21)
InChIKeyUZOGXUDXFVXBHG-UHFFFAOYSA-N
XLogP4.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 54.38
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-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-[(3-bromophenyl)methylsulfanyl]-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 2261299
2-[(3-bromophenyl)methylsulfanyl]-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 2261301
N-[(Z)-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 92850684
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 94838596
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
CID 103918794
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide (CID 3639982) is N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide is O=C(CSCc1cccc(Cl)c1)NN=Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is UZOGXUDXFVXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2OS/c17-14-5-1-3-12(7-14)9-19-20-16(21)11-22-10-13-4-2-6-15(18)8-13/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 353.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 3639982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).