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

C99H129F18N3O9S3Si3 — CID 160977446

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

(R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane (PubChem CID 160977446) has the molecular formula C99H129F18N3O9S3Si3 and a molecular weight of 2027.56 g/mol. Its IUPAC name is (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane.

Molecular Properties

• Compound Name: (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane
• PubChem CID: 160977446
• Molecular Formula: C99H129F18N3O9S3Si3
• Molecular Weight: 2027.56 g/mol
• Exact Mass: 2025.79
• IUPAC Name: (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane
• SMILES: C.C.C.CC(C)(C)[S@@](=O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1.CC(C)(C)[S@@](=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1.CC(C)(C)[S@@](=O)N[C@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1
• InChI: InChI=1S/3C32H39F6NO3SSi.3CH4/c3*1-29(2,3)43(40)39-31(20-21-12-10-9-11-13-21,23-16-24(33)19-25(17-23)41-32(37,38)28(35)36)22-14-15-27(26(34)18-22)42-44(7,8)30(4,5)6;;;/h3*9-19,28,39H,20H2,1-8H3;3*1H4/t31?,43-;31-,43+;31-,43-;;;/m101.../s1
• InChIKey: SZBGJYYSGMVTCB-YNWUIAHPSA-N
• XLogP: 29.28
• TPSA: 142.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 33
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2027.56
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane (CID 160977446) is (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane.

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

The canonical SMILES for (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane is C.C.C.CC(C)(C)[S@@](=O)NC(Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1.CC(C)(C)[S@@](=O)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1.CC(C)(C)[S@@](=O)N[C@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(O[Si](C)(C)C(C)(C)C)c(F)c1.

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

The InChIKey is SZBGJYYSGMVTCB-YNWUIAHPSA-N. The full InChI is InChI=1S/3C32H39F6NO3SSi.3CH4/c3*1-29(2,3)43(40)39-31(20-21-12-10-9-11-13-21,23-16-24(33)19-25(17-23)41-32(37,38)28(35)36)22-14-15-27(26(34)18-22)42-44(7,8)30(4,5)6;;;/h3*9-19,28,39H,20H2,1-8H3;3*1H4/t31?,43-;31-,43+;31-,43-;;;/m101.../s1.

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

(R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane has a molecular weight of 2027.56 g/mol, XLogP of 29.28, 33 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-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-sulfinamide;(R)-N-[(1S)-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;(R)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluorophenyl]-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-2-methylpropane-2-sulfinamide;methane is sourced from PubChem (CID 160977446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).