N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

C52H80N4O13S4Si — CID 163675157

About N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 163675157) has the molecular formula C52H80N4O13S4Si and a molecular weight of 1125.58 g/mol. Its IUPAC name is N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• PubChem CID: 163675157
• Molecular Formula: C52H80N4O13S4Si
• Molecular Weight: 1125.58 g/mol
• Exact Mass: 1124.44
• IUPAC Name: N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• SMILES: CC(C)(O)c1nc(CO)c(S(N)(=O)=O)s1.CC(C)c1cc2c(c(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C)COC2.CC(C)c1cc2c(c(C(C)C)c1CC(=O)O)COC2
• InChI: InChI=1S/C29H46N2O6S2Si.C16H22O3.C7H12N2O4S2/c1-17(2)20-12-19-14-36-15-22(19)25(18(3)4)21(20)13-24(32)31-39(34,35)26-23(30-27(38-26)29(8,9)33)16-37-40(10,11)28(5,6)7;1-9(2)12-5-11-7-19-8-14(11)16(10(3)4)13(12)6-15(17)18;1-7(2,11)6-9-4(3-10)5(14-6)15(8,12)13/h12,17-18,33H,13-16H2,1-11H3,(H,31,32);5,9-10H,6-8H2,1-4H3,(H,17,18);10-11H,3H2,1-2H3,(H2,8,12,13)
• InChIKey: JGAQWRNUSLWWBV-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 274.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1125.58
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 163675157) is N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(C)(O)c1nc(CO)c(S(N)(=O)=O)s1.CC(C)c1cc2c(c(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C)COC2.CC(C)c1cc2c(c(C(C)C)c1CC(=O)O)COC2.

What is the InChIKey of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The InChIKey is JGAQWRNUSLWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2O6S2Si.C16H22O3.C7H12N2O4S2/c1-17(2)20-12-19-14-36-15-22(19)25(18(3)4)21(20)13-24(32)31-39(34,35)26-23(30-27(38-26)29(8,9)33)16-37-40(10,11)28(5,6)7;1-9(2)12-5-11-7-19-8-14(11)16(10(3)4)13(12)6-15(17)18;1-7(2,11)6-9-4(3-10)5(14-6)15(8,12)13/h12,17-18,33H,13-16H2,1-11H3,(H,31,32);5,9-10H,6-8H2,1-4H3,(H,17,18);10-11H,3H2,1-2H3,(H2,8,12,13).

What are the key properties of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 1125.58 g/mol, XLogP of 9.32, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetamide;2-[4,6-di(propan-2-yl)-1,3-dihydro-2-benzofuran-5-yl]acetic acid;4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 163675157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).