N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C24H23BrClN3O4S — CID 126073131

About N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126073131) has the molecular formula C24H23BrClN3O4S and a molecular weight of 564.89 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

• Compound Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
• PubChem CID: 126073131
• Molecular Formula: C24H23BrClN3O4S
• Molecular Weight: 564.89 g/mol
• Exact Mass: 563.03
• IUPAC Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
• SMILES: COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C24H23BrClN3O4S/c1-17-7-10-21(11-8-17)34(31,32)29(15-18-5-3-4-6-22(18)26)16-24(30)28-27-14-19-13-20(25)9-12-23(19)33-2/h3-14H,15-16H2,1-2H3,(H,28,30)/b27-14-
• InChIKey: WSOJDANORWMDLA-VYYCAZPPSA-N
• XLogP: 4.76
• TPSA: 88.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.89
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
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-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?

The IUPAC name of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126073131) is N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

What is the SMILES notation for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?

The canonical SMILES for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1ccc(Br)cc1/C=N\NC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?

The InChIKey is WSOJDANORWMDLA-VYYCAZPPSA-N. The full InChI is InChI=1S/C24H23BrClN3O4S/c1-17-7-10-21(11-8-17)34(31,32)29(15-18-5-3-4-6-22(18)26)16-24(30)28-27-14-19-13-20(25)9-12-23(19)33-2/h3-14H,15-16H2,1-2H3,(H,28,30)/b27-14-.

What are the key properties of N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 564.89 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126073131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).