(2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone

C50H70N4O8S2Si2 — CID 164970418

About (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone

(2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone (PubChem CID 164970418) has the molecular formula C50H70N4O8S2Si2 and a molecular weight of 975.44 g/mol. Its IUPAC name is (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone.

Molecular Properties

• Compound Name: (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone
• PubChem CID: 164970418
• Molecular Formula: C50H70N4O8S2Si2
• Molecular Weight: 975.44 g/mol
• Exact Mass: 974.42
• IUPAC Name: (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone
• SMILES: COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C
• InChI: InChI=1S/C25H34N2O5SSi.C25H36N2O3SSi/c1-17-12-22(27(29)30)21(14-23(17)31-5)24(28)26-10-8-18(19-9-11-33-16-19)13-20(26)15-32-34(6,7)25(2,3)4;1-17-12-22(26)21(14-23(17)29-5)24(28)27-10-8-18(19-9-11-31-16-19)13-20(27)15-30-32(6,7)25(2,3)4/h8-9,11-12,14,16,20H,10,13,15H2,1-7H3;8-9,11-12,14,16,20H,10,13,15,26H2,1-7H3/t2*20-/m00/s1
• InChIKey: DAWVGVLECLWXGF-UHUPAWRPSA-N
• XLogP: 12.26
• TPSA: 146.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.44
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The IUPAC name of (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone (CID 164970418) is (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone.

What is the SMILES notation for (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The canonical SMILES for (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone is COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c(N)cc1C.COc1cc(C(=O)N2CC=C(c3ccsc3)C[C@H]2CO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])cc1C.

What is the InChIKey of (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

The InChIKey is DAWVGVLECLWXGF-UHUPAWRPSA-N. The full InChI is InChI=1S/C25H34N2O5SSi.C25H36N2O3SSi/c1-17-12-22(27(29)30)21(14-23(17)31-5)24(28)26-10-8-18(19-9-11-33-16-19)13-20(26)15-32-34(6,7)25(2,3)4;1-17-12-22(26)21(14-23(17)29-5)24(28)27-10-8-18(19-9-11-31-16-19)13-20(27)15-30-32(6,7)25(2,3)4/h8-9,11-12,14,16,20H,10,13,15H2,1-7H3;8-9,11-12,14,16,20H,10,13,15,26H2,1-7H3/t2*20-/m00/s1.

What are the key properties of (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone?

(2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone has a molecular weight of 975.44 g/mol, XLogP of 12.26, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-methoxy-4-methylphenyl)-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]methanone;[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-thiophen-3-yl-3,6-dihydro-2H-pyridin-1-yl]-(5-methoxy-4-methyl-2-nitrophenyl)methanone is sourced from PubChem (CID 164970418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).