2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide

C24H30Cl2N2O2S — CID 132725410

About 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide

2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 132725410) has the molecular formula C24H30Cl2N2O2S and a molecular weight of 481.49 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
• PubChem CID: 132725410
• Molecular Formula: C24H30Cl2N2O2S
• Molecular Weight: 481.49 g/mol
• Exact Mass: 480.14
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide
• SMILES: Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)C(C)C(=O)NCC(C)C
• InChI: InChI=1S/C24H30Cl2N2O2S/c1-16(2)12-27-24(30)18(4)28(13-20-21(25)10-7-11-22(20)26)23(29)15-31-14-19-9-6-5-8-17(19)3/h5-11,16,18H,12-15H2,1-4H3,(H,27,30)
• InChIKey: JDAAJFHFTDEKOX-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide (CID 132725410) is 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)C(C)C(=O)NCC(C)C.

What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide?

The InChIKey is JDAAJFHFTDEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2S/c1-16(2)12-27-24(30)18(4)28(13-20-21(25)10-7-11-22(20)26)23(29)15-31-14-19-9-6-5-8-17(19)3/h5-11,16,18H,12-15H2,1-4H3,(H,27,30).

What are the key properties of 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide?

2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 481.49 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 132725410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).