2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide

C25H34Cl2N4O4S — CID 132689276

About 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide

2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132689276) has the molecular formula C25H34Cl2N4O4S and a molecular weight of 557.54 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 132689276
• Molecular Formula: C25H34Cl2N4O4S
• Molecular Weight: 557.54 g/mol
• Exact Mass: 556.17
• IUPAC Name: 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide
• SMILES: Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1
• InChI: InChI=1S/C25H34Cl2N4O4S/c1-16(2)28-25(33)19(5)30(14-20-10-11-21(26)13-22(20)27)24(32)15-31(36(34,35)29(6)7)23-12-17(3)8-9-18(23)4/h8-13,16,19H,14-15H2,1-7H3,(H,28,33)
• InChIKey: XFDQGGRREQJHQX-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.54
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide?

The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide (CID 132689276) is 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide.

What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide?

The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(N(CC(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)S(=O)(=O)N(C)C)c1.

What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide?

The InChIKey is XFDQGGRREQJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34Cl2N4O4S/c1-16(2)28-25(33)19(5)30(14-20-10-11-21(26)13-22(20)27)24(32)15-31(36(34,35)29(6)7)23-12-17(3)8-9-18(23)4/h8-13,16,19H,14-15H2,1-7H3,(H,28,33).

What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide?

2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 557.54 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichlorophenyl)methyl-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132689276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).