(2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide

C23H28Cl2N2O2S — CID 100705325

About (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide

(2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100705325) has the molecular formula C23H28Cl2N2O2S and a molecular weight of 467.46 g/mol. Its IUPAC name is (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
• PubChem CID: 100705325
• Molecular Formula: C23H28Cl2N2O2S
• Molecular Weight: 467.46 g/mol
• Exact Mass: 466.12
• IUPAC Name: (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide
• SMILES: Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C
• InChI: InChI=1S/C23H28Cl2N2O2S/c1-15(2)26-23(29)17(4)27(12-19-20(24)10-7-11-21(19)25)22(28)14-30-13-18-9-6-5-8-16(18)3/h5-11,15,17H,12-14H2,1-4H3,(H,26,29)/t17-/m1/s1
• InChIKey: RHLHJZDEXGHDTF-QGZVFWFLSA-N
• XLogP: 5.48
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.46
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide (CID 100705325) is (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide.

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

The canonical SMILES for (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccccc1CSCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)C.

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

The InChIKey is RHLHJZDEXGHDTF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2S/c1-15(2)26-23(29)17(4)27(12-19-20(24)10-7-11-21(19)25)22(28)14-30-13-18-9-6-5-8-16(18)3/h5-11,15,17H,12-14H2,1-4H3,(H,26,29)/t17-/m1/s1.

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

(2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 467.46 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2,6-dichlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100705325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).