N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide

C24H31ClN2O2S — CID 132716147

About N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide

N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide (PubChem CID 132716147) has the molecular formula C24H31ClN2O2S and a molecular weight of 447.04 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
• PubChem CID: 132716147
• Molecular Formula: C24H31ClN2O2S
• Molecular Weight: 447.04 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
• SMILES: Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NC(C)(C)C
• InChI: InChI=1S/C24H31ClN2O2S/c1-17-10-6-7-12-20(17)15-30-16-22(28)27(14-19-11-8-9-13-21(19)25)18(2)23(29)26-24(3,4)5/h6-13,18H,14-16H2,1-5H3,(H,26,29)
• InChIKey: IWYAJDRZUYARBS-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.04
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide (CID 132716147) is N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide.

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

The canonical SMILES for N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide is Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)C(C)C(=O)NC(C)(C)C.

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

The InChIKey is IWYAJDRZUYARBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O2S/c1-17-10-6-7-12-20(17)15-30-16-22(28)27(14-19-11-8-9-13-21(19)25)18(2)23(29)26-24(3,4)5/h6-13,18H,14-16H2,1-5H3,(H,26,29).

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

N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide has a molecular weight of 447.04 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]propanamide is sourced from PubChem (CID 132716147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).