N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide

C17H16Cl2N2OS — CID 3590246

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2OS/c18-15-7-4-8-16(19)14(15)11-20-21-17(22)12-23-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,21,22)
InChIKeyLOGLZKPMQPCXIP-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.42
Rot. Bonds7

About N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide

N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 3590246) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide
PubChem CID3590246
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C17H16Cl2N2OS/c18-15-7-4-8-16(19)14(15)11-20-21-17(22)12-23-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,21,22)
InChIKeyLOGLZKPMQPCXIP-UHFFFAOYSA-N
XLogP4.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)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

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 94837776
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
CID 6896503
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-[2-[(2E)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 171981130
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 1417656
1-benzyl-3-[(E)-(2,6-dichlorophenyl)methylideneamino]thiourea
CID 110337009
N-[(2,6-dichlorophenyl)methylideneamino]nonanamide
CID 3711942
N'-[(E)-(2,6-dichlorophenyl)methylideneamino]-N-phenyloxamide
CID 51060164
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
N-[(3-chlorophenyl)methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 3639982
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 6885971
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5395244

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide (CID 3590246) is N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide is O=C(CSCCc1ccccc1)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is LOGLZKPMQPCXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c18-15-7-4-8-16(19)14(15)11-20-21-17(22)12-23-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,21,22).
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide?
N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 367.30 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methylideneamino]-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 3590246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).