N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane

C110H136N12O20S8Si2 — CID 167561291

About N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane

N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane (PubChem CID 167561291) has the molecular formula C110H136N12O20S8Si2 and a molecular weight of 2259.07 g/mol. Its IUPAC name is N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane.

Molecular Properties

• Compound Name: N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane
• PubChem CID: 167561291
• Molecular Formula: C110H136N12O20S8Si2
• Molecular Weight: 2259.07 g/mol
• Exact Mass: 2256.73
• IUPAC Name: N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane
• SMILES: C.C.CSS[C@@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO.CSS[C@@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CSS[C@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO.CSS[C@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/2C35H41N3O5S2Si.2C19H23N3O5S2.2CH4/c2*1-25(45-44-5)42-29-23-32(38-22-21-31(37-34(38)40)36-33(39)26-15-9-6-10-16-26)43-30(29)24-41-46(35(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28;2*1-12(29-28-2)26-14-10-17(27-15(14)11-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13;;/h2*6-22,25,29-30,32H,23-24H2,1-5H3,(H,36,37,39,40);2*3-9,12,14-15,17,23H,10-11H2,1-2H3,(H,20,21,24,25);2*1H4/t25-,29?,30+,32+;25-,29?,30-,32-;12-,14?,15+,17+;12-,14?,15-,17-;;/m0101../s1
• InChIKey: DRPMXHYHAHNPGH-OTDXIAMHSA-N
• XLogP: 18.51
• TPSA: 388.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 40
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.07
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane?

The IUPAC name of N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane (CID 167561291) is N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane.

What is the SMILES notation for N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane?

The canonical SMILES for N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane is C.C.CSS[C@@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO.CSS[C@@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CSS[C@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO.CSS[C@H](C)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane?

The InChIKey is DRPMXHYHAHNPGH-OTDXIAMHSA-N. The full InChI is InChI=1S/2C35H41N3O5S2Si.2C19H23N3O5S2.2CH4/c2*1-25(45-44-5)42-29-23-32(38-22-21-31(37-34(38)40)36-33(39)26-15-9-6-10-16-26)43-30(29)24-41-46(35(2,3)4,27-17-11-7-12-18-27)28-19-13-8-14-20-28;2*1-12(29-28-2)26-14-10-17(27-15(14)11-23)22-9-8-16(21-19(22)25)20-18(24)13-6-4-3-5-7-13;;/h2*6-22,25,29-30,32H,23-24H2,1-5H3,(H,36,37,39,40);2*3-9,12,14-15,17,23H,10-11H2,1-2H3,(H,20,21,24,25);2*1H4/t25-,29?,30+,32+;25-,29?,30-,32-;12-,14?,15+,17+;12-,14?,15-,17-;;/m0101../s1.

What are the key properties of N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane?

N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane has a molecular weight of 2259.07 g/mol, XLogP of 18.51, 40 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1S)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[1-[(2R,5R)-5-(hydroxymethyl)-4-[(1R)-1-(methyldisulfanyl)ethoxy]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;methane is sourced from PubChem (CID 167561291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).