2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

C19H22ClN3O4S — CID 24581900

IUPAC2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H22ClN3O4S/c1-13-9-17(28(25,26)23(3)4)10-18(14(13)2)22-19(24)12-27-21-11-15-5-7-16(20)8-6-15/h5-11H,12H2,1-4H3,(H,22,24)/b21-11+
InChIKeyPXYNDZPLNOUPMY-SRZZPIQSSA-N
MW423.92 g/mol
LogP3.20
Rot. Bonds7

About 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide

2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (PubChem CID 24581900) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
PubChem CID24581900
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H22ClN3O4S/c1-13-9-17(28(25,26)23(3)4)10-18(14(13)2)22-19(24)12-27-21-11-15-5-7-16(20)8-6-15/h5-11H,12H2,1-4H3,(H,22,24)/b21-11+
InChIKeyPXYNDZPLNOUPMY-SRZZPIQSSA-N
XLogP3.20
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]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-(4-chlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 34079032
2-(2,4-dichlorophenyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 27832730
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7700978
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
3-[[(E)-(4-chlorophenyl)methylideneamino]oxymethyl]-N,N-dimethylbenzenesulfonamide
CID 78766577
N-(2-chloro-4-methylphenyl)-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698913
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
N-(3-acetylphenyl)-2-[(E)-(4-chlorophenyl)methylideneamino]oxyacetamide
CID 16545370
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]propanamide
CID 26723837
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24582148

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The IUPAC name of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide (CID 24581900) is 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide.
What is the SMILES notation for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The canonical SMILES for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)CO/N=C/c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
The InChIKey is PXYNDZPLNOUPMY-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-13-9-17(28(25,26)23(3)4)10-18(14(13)2)22-19(24)12-27-21-11-15-5-7-16(20)8-6-15/h5-11H,12H2,1-4H3,(H,22,24)/b21-11+.
What are the key properties of 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide?
2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide has a molecular weight of 423.92 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-chlorophenyl)methylideneamino]oxy-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide is sourced from PubChem (CID 24581900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).