N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide

C21H38ClNO4SSi2 — CID 91697066

IUPACN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H38ClNO4SSi2/c1-16(27-30(10,11)21(5,6)7)19(24)23(29(8,9)20(2,3)4)28(25,26)18-14-12-17(22)13-15-18/h12-16H,1-11H3
InChIKeyAUMHSXVVOJSJKI-UHFFFAOYSA-N
MW492.23 g/mol
LogP6.27
Rot. Bonds6

About N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide

N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 91697066) has the molecular formula C21H38ClNO4SSi2 and a molecular weight of 492.23 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
PubChem CID91697066
Molecular FormulaC21H38ClNO4SSi2
Molecular Weight492.23 g/mol
Exact Mass491.17
IUPAC NameN-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H38ClNO4SSi2/c1-16(27-30(10,11)21(5,6)7)19(24)23(29(8,9)20(2,3)4)28(25,26)18-14-12-17(22)13-15-18/h12-16H,1-11H3
InChIKeyAUMHSXVVOJSJKI-UHFFFAOYSA-N
XLogP6.27
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.23
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide (CID 91697066) is N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide is CC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is AUMHSXVVOJSJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38ClNO4SSi2/c1-16(27-30(10,11)21(5,6)7)19(24)23(29(8,9)20(2,3)4)28(25,26)18-14-12-17(22)13-15-18/h12-16H,1-11H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide?
N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 492.23 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 91697066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).