(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide

C32H41F4NO3SSi — CID 59541184

About (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide

(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide (PubChem CID 59541184) has the molecular formula C32H41F4NO3SSi and a molecular weight of 623.83 g/mol. Its IUPAC name is (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 59541184
• Molecular Formula: C32H41F4NO3SSi
• Molecular Weight: 623.83 g/mol
• Exact Mass: 623.25
• IUPAC Name: (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide
• SMILES: CC(F)(F)Oc1cc(F)cc(C(Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2)c1
• InChI: InChI=1S/C32H41F4NO3SSi/c1-29(2,3)41(38)37-32(21-22-13-11-10-12-14-22,24-17-25(33)20-26(18-24)39-31(7,35)36)23-15-16-28(27(34)19-23)40-42(8,9)30(4,5)6/h10-20,37H,21H2,1-9H3/t32?,41-/m1/s1
• InChIKey: XIZOLCCTXWFYQB-XKRCVHPFSA-N
• XLogP: 8.88
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.83
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide (CID 59541184) is (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide is CC(F)(F)Oc1cc(F)cc(C(Cc2ccccc2)(N[S@](=O)C(C)(C)C)c2ccc(O[Si](C)(C)C(C)(C)C)c(F)c2)c1.

What is the InChIKey of (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is XIZOLCCTXWFYQB-XKRCVHPFSA-N. The full InChI is InChI=1S/C32H41F4NO3SSi/c1-29(2,3)41(38)37-32(21-22-13-11-10-12-14-22,24-17-25(33)20-26(18-24)39-31(7,35)36)23-15-16-28(27(34)19-23)40-42(8,9)30(4,5)6/h10-20,37H,21H2,1-9H3/t32?,41-/m1/s1.

What are the key properties of (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide?

(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 623.83 g/mol, XLogP of 8.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-(1,1-difluoroethoxy)-5-fluorophenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 59541184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).