(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide

C32H42N2O7S3Si — CID 153317875

About (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide

(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide (PubChem CID 153317875) has the molecular formula C32H42N2O7S3Si and a molecular weight of 690.98 g/mol. Its IUPAC name is (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide.

Molecular Properties

• Compound Name: (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide
• PubChem CID: 153317875
• Molecular Formula: C32H42N2O7S3Si
• Molecular Weight: 690.98 g/mol
• Exact Mass: 690.19
• IUPAC Name: (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide
• SMILES: CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@@H](C)C(=O)[C@H](C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21
• InChI: InChI=1S/C32H42N2O7S3Si/c1-8-33-27-19-21(2)43(37,38)31-26(27)20-28(42-31)44(39,40)34-30(36)22(3)29(35)23(4)41-45(32(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,20-23,27,33H,8,19H2,1-7H3,(H,34,36)/t21-,22-,23-,27-/m0/s1
• InChIKey: LJZDNKVPXWRDGF-FAWUNYRSSA-N
• XLogP: 3.94
• TPSA: 135.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.98
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide?

The IUPAC name of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide (CID 153317875) is (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide.

What is the SMILES notation for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide?

The canonical SMILES for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide is CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)NC(=O)[C@@H](C)C(=O)[C@H](C)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21.

What is the InChIKey of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide?

The InChIKey is LJZDNKVPXWRDGF-FAWUNYRSSA-N. The full InChI is InChI=1S/C32H42N2O7S3Si/c1-8-33-27-19-21(2)43(37,38)31-26(27)20-28(42-31)44(39,40)34-30(36)22(3)29(35)23(4)41-45(32(5,6)7,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,20-23,27,33H,8,19H2,1-7H3,(H,34,36)/t21-,22-,23-,27-/m0/s1.

What are the key properties of (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide?

(2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide has a molecular weight of 690.98 g/mol, XLogP of 3.94, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-N-[[(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-yl]sulfonyl]-2-methyl-3-oxopentanamide is sourced from PubChem (CID 153317875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).