N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide

C24H30Cl2N2O2S — CID 132725556

About N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide

N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide (PubChem CID 132725556) has the molecular formula C24H30Cl2N2O2S and a molecular weight of 481.49 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide
• PubChem CID: 132725556
• Molecular Formula: C24H30Cl2N2O2S
• Molecular Weight: 481.49 g/mol
• Exact Mass: 480.14
• IUPAC Name: N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide
• SMILES: CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1
• InChI: InChI=1S/C24H30Cl2N2O2S/c1-5-21(23(30)27-24(2,3)4)28(14-17-9-11-19(25)12-10-17)22(29)16-31-15-18-7-6-8-20(26)13-18/h6-13,21H,5,14-16H2,1-4H3,(H,27,30)
• InChIKey: ZBKNDQVRBTTYCK-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide?

The IUPAC name of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide (CID 132725556) is N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide.

What is the SMILES notation for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide?

The canonical SMILES for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide is CCC(C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(Cl)c1.

What is the InChIKey of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide?

The InChIKey is ZBKNDQVRBTTYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N2O2S/c1-5-21(23(30)27-24(2,3)4)28(14-17-9-11-19(25)12-10-17)22(29)16-31-15-18-7-6-8-20(26)13-18/h6-13,21H,5,14-16H2,1-4H3,(H,27,30).

What are the key properties of N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide?

N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide has a molecular weight of 481.49 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanamide is sourced from PubChem (CID 132725556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).