5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide

C20H33NO4S2Si2 — CID 10790598

IUPAC5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(S(N)(=O)=O)cs2)cc1
InChIInChI=1S/C20H33NO4S2Si2/c1-20(2,3)29(7,8)24-16-11-9-15(10-12-16)19(25-28(4,5)6)18-13-17(14-26-18)27(21,22)23/h9-14,19H,1-8H3,(H2,21,22,23)
InChIKeyVLFDHSIGXNDEPA-UHFFFAOYSA-N
MW471.79 g/mol
LogP5.72
Rot. Bonds7

About 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide

5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide (PubChem CID 10790598) has the molecular formula C20H33NO4S2Si2 and a molecular weight of 471.79 g/mol. Its IUPAC name is 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide
PubChem CID10790598
Molecular FormulaC20H33NO4S2Si2
Molecular Weight471.79 g/mol
Exact Mass471.14
IUPAC Name5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(S(N)(=O)=O)cs2)cc1
InChIInChI=1S/C20H33NO4S2Si2/c1-20(2,3)29(7,8)24-16-11-9-15(10-12-16)19(25-28(4,5)6)18-13-17(14-26-18)27(21,22)23/h9-14,19H,1-8H3,(H2,21,22,23)
InChIKeyVLFDHSIGXNDEPA-UHFFFAOYSA-N
XLogP5.72
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.79
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide (CID 10790598) is 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(C(O[Si](C)(C)C)c2cc(S(N)(=O)=O)cs2)cc1.
What is the InChIKey of 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
The InChIKey is VLFDHSIGXNDEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO4S2Si2/c1-20(2,3)29(7,8)24-16-11-9-15(10-12-16)19(25-28(4,5)6)18-13-17(14-26-18)27(21,22)23/h9-14,19H,1-8H3,(H2,21,22,23).
What are the key properties of 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide?
5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide has a molecular weight of 471.79 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-trimethylsilyloxymethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).