N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide

C₁₈H₁₉Cl₂N₃O₄S — CID 142627819

About N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide (PubChem CID 142627819) has the molecular formula C₁₈H₁₉Cl₂N₃O₄S and a molecular weight of 444.34 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
• PubChem CID: 142627819
• Molecular Formula: C₁₈H₁₉Cl₂N₃O₄S
• Molecular Weight: 444.34 g/mol
• Exact Mass: 443.05
• IUPAC Name: N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide
• SMILES: CON=C(CNC(=O)C(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H19Cl2N3O4S/c1-27-22-16(14-9-8-13(19)10-15(14)20)11-21-18(24)17(23-28(2,25)26)12-6-4-3-5-7-12/h3-10,17,23H,11H2,1-2H3,(H,21,24)
• InChIKey: HGOWPGJVZNGMKF-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 96.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.34
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?

The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide (CID 142627819) is N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide.

What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?

The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide is CON=C(CNC(=O)C(NS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1Cl.

What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?

The InChIKey is HGOWPGJVZNGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c1-27-22-16(14-9-8-13(19)10-15(14)20)11-21-18(24)17(23-28(2,25)26)12-6-4-3-5-7-12/h3-10,17,23H,11H2,1-2H3,(H,21,24).

What are the key properties of N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide?

N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide has a molecular weight of 444.34 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)-2-methoxyiminoethyl]-2-(methanesulfonamido)-2-phenylacetamide is sourced from PubChem (CID 142627819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142627819 — identifiers, structure, computed properties (public domain)

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