2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide

C28H25Cl3N4O4S2 — CID 99708497

IUPAC2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSC2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C28H25Cl3N4O4S2/c1-3-34(4-2)41(38,39)21-8-5-7-20(16-21)32-25(36)17-40-28-33-23(15-18-11-13-19(29)14-12-18)27(37)35(28)24-10-6-9-22(30)26(24)31/h5-16H,3-4,17H2,1-2H3,(H,32,36)/b23-15+
InChIKeyFSBVFGFHJIMAGF-HZHRSRAPSA-N
MW652.03 g/mol
LogP6.79
Rot. Bonds9

About 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide

2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 99708497) has the molecular formula C28H25Cl3N4O4S2 and a molecular weight of 652.03 g/mol. Its IUPAC name is 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID99708497
Molecular FormulaC28H25Cl3N4O4S2
Molecular Weight652.03 g/mol
Exact Mass650.04
IUPAC Name2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CSC2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C28H25Cl3N4O4S2/c1-3-34(4-2)41(38,39)21-8-5-7-20(16-21)32-25(36)17-40-28-33-23(15-18-11-13-19(29)14-12-18)27(37)35(28)24-10-6-9-22(30)26(24)31/h5-16H,3-4,17H2,1-2H3,(H,32,36)/b23-15+
InChIKeyFSBVFGFHJIMAGF-HZHRSRAPSA-N
XLogP6.79
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.03
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]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

2-(2-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 7950472
N-(3-acetylphenyl)-2-[4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylacetamide
CID 4257934
2-[4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3661816
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide
CID 19058775
N-[3-(diethylsulfamoyl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4803994
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 26252162
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4810069
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 9306989
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 46817824
2-[(2-chlorophenyl)methyl-ethylamino]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 52586973
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
2-(2,5-dichlorophenyl)sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86971491

Frequently Asked Questions

What is the IUPAC name of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide (CID 99708497) is 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSC2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is FSBVFGFHJIMAGF-HZHRSRAPSA-N. The full InChI is InChI=1S/C28H25Cl3N4O4S2/c1-3-34(4-2)41(38,39)21-8-5-7-20(16-21)32-25(36)17-40-28-33-23(15-18-11-13-19(29)14-12-18)27(37)35(28)24-10-6-9-22(30)26(24)31/h5-16H,3-4,17H2,1-2H3,(H,32,36)/b23-15+.
What are the key properties of 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide?
2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 652.03 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E)-4-[(4-chlorophenyl)methylidene]-1-(2,3-dichlorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 99708497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).