2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide

C22H24Cl4N2O2S — CID 132683389

About 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide

2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide (PubChem CID 132683389) has the molecular formula C22H24Cl4N2O2S and a molecular weight of 522.33 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
• PubChem CID: 132683389
• Molecular Formula: C22H24Cl4N2O2S
• Molecular Weight: 522.33 g/mol
• Exact Mass: 520.03
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide
• SMILES: CCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C22H24Cl4N2O2S/c1-3-10-27-22(30)14(2)28(11-15-17(23)6-4-7-18(15)24)21(29)13-31-12-16-19(25)8-5-9-20(16)26/h4-9,14H,3,10-13H2,1-2H3,(H,27,30)
• InChIKey: FTSOBUNXYBUOEI-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.33
LogP ≤ 5	6.48
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-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide (CID 132683389) is 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide.

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

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1c(Cl)cccc1Cl.

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

The InChIKey is FTSOBUNXYBUOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl4N2O2S/c1-3-10-27-22(30)14(2)28(11-15-17(23)6-4-7-18(15)24)21(29)13-31-12-16-19(25)8-5-9-20(16)26/h4-9,14H,3,10-13H2,1-2H3,(H,27,30).

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

2-[(2,6-dichlorophenyl)methyl-[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide has a molecular weight of 522.33 g/mol, XLogP of 6.48, 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-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132683389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).