N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

C24H22BrCl3N2O3S — CID 100798052

About N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide

N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (PubChem CID 100798052) has the molecular formula C24H22BrCl3N2O3S and a molecular weight of 604.78 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• PubChem CID: 100798052
• Molecular Formula: C24H22BrCl3N2O3S
• Molecular Weight: 604.78 g/mol
• Exact Mass: 601.96
• IUPAC Name: N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
• SMILES: CCc1cc(Br)cc(C)c1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C24H22BrCl3N2O3S/c1-3-16-11-18(25)10-15(2)24(16)29-23(31)14-30(13-17-4-5-20(27)12-22(17)28)34(32,33)21-8-6-19(26)7-9-21/h4-12H,3,13-14H2,1-2H3,(H,29,31)
• InChIKey: LUUIIBLRZXTVID-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.78
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide (CID 100798052) is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide.

What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is CCc1cc(Br)cc(C)c1NC(=O)CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

The InChIKey is LUUIIBLRZXTVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrCl3N2O3S/c1-3-16-11-18(25)10-15(2)24(16)29-23(31)14-30(13-17-4-5-20(27)12-22(17)28)34(32,33)21-8-6-19(26)7-9-21/h4-12H,3,13-14H2,1-2H3,(H,29,31).

What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide?

N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide has a molecular weight of 604.78 g/mol, XLogP of 7.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 100798052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).