2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide

C24H28Cl4N2O2S — CID 132738517

About 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide

2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide (PubChem CID 132738517) has the molecular formula C24H28Cl4N2O2S and a molecular weight of 550.38 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

• Compound Name: 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide
• PubChem CID: 132738517
• Molecular Formula: C24H28Cl4N2O2S
• Molecular Weight: 550.38 g/mol
• Exact Mass: 548.06
• IUPAC Name: 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide
• SMILES: CCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C24H28Cl4N2O2S/c1-4-22(24(32)29-11-15(2)3)30(12-17-6-7-18(25)10-20(17)27)23(31)14-33-13-16-5-8-19(26)21(28)9-16/h5-10,15,22H,4,11-14H2,1-3H3,(H,29,32)
• InChIKey: RVWCKJFVFVQRDA-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.38
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide?

The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide (CID 132738517) is 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide.

What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide?

The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide is CCC(C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide?

The InChIKey is RVWCKJFVFVQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl4N2O2S/c1-4-22(24(32)29-11-15(2)3)30(12-17-6-7-18(25)10-20(17)27)23(31)14-33-13-16-5-8-19(26)21(28)9-16/h5-10,15,22H,4,11-14H2,1-3H3,(H,29,32).

What are the key properties of 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide?

2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide has a molecular weight of 550.38 g/mol, XLogP of 7.11, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 132738517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).