N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide

C32H39F6NO4SSi — CID 87152212

About N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide

N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide (PubChem CID 87152212) has the molecular formula C32H39F6NO4SSi and a molecular weight of 675.81 g/mol. Its IUPAC name is N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide
• PubChem CID: 87152212
• Molecular Formula: C32H39F6NO4SSi
• Molecular Weight: 675.81 g/mol
• Exact Mass: 675.23
• IUPAC Name: N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc([C@@](Cc2ccccc2)(NS(=O)(=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1F
• InChI: InChI=1S/C32H39F6NO4SSi/c1-29(2,3)44(40,41)39-31(20-21-12-10-9-11-13-21,23-16-24(33)19-25(17-23)42-32(37,38)28(35)36)22-14-15-27(26(34)18-22)43-45(7,8)30(4,5)6/h9-19,28,39H,20H2,1-8H3/t31-/m1/s1
• InChIKey: ROIDNGRTSSAZTB-WJOKGBTCSA-N
• XLogP: 8.79
• TPSA: 64.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.81
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide (CID 87152212) is N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide.

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

The canonical SMILES for N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc([C@@](Cc2ccccc2)(NS(=O)(=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)cc1F.

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

The InChIKey is ROIDNGRTSSAZTB-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H39F6NO4SSi/c1-29(2,3)44(40,41)39-31(20-21-12-10-9-11-13-21,23-16-24(33)19-25(17-23)42-32(37,38)28(35)36)22-14-15-27(26(34)18-22)43-45(7,8)30(4,5)6/h9-19,28,39H,20H2,1-8H3/t31-/m1/s1.

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

N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 675.81 g/mol, XLogP of 8.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 87152212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).