N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide

C32H41NO3SSi — CID 132537284

IUPACN-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C32H41NO3SSi/c1-31(2,3)37(35)33-27(24-28(34)23-22-26-16-10-7-11-17-26)25-36-38(32(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,27,33H,24-25H2,1-6H3/b23-22+/t27-,37?/m1/s1
InChIKeyXPXGDJHJIKIIFV-PBSGEEECSA-N
MW547.84 g/mol
LogP5.66
Rot. Bonds11

About N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide

N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 132537284) has the molecular formula C32H41NO3SSi and a molecular weight of 547.84 g/mol. Its IUPAC name is N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID132537284
Molecular FormulaC32H41NO3SSi
Molecular Weight547.84 g/mol
Exact Mass547.26
IUPAC NameN-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)/C=C/c1ccccc1
InChIInChI=1S/C32H41NO3SSi/c1-31(2,3)37(35)33-27(24-28(34)23-22-26-16-10-7-11-17-26)25-36-38(32(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,27,33H,24-25H2,1-6H3/b23-22+/t27-,37?/m1/s1
InChIKeyXPXGDJHJIKIIFV-PBSGEEECSA-N
XLogP5.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.84
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide (CID 132537284) is N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC(=O)/C=C/c1ccccc1.
What is the InChIKey of N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XPXGDJHJIKIIFV-PBSGEEECSA-N. The full InChI is InChI=1S/C32H41NO3SSi/c1-31(2,3)37(35)33-27(24-28(34)23-22-26-16-10-7-11-17-26)25-36-38(32(4,5)6,29-18-12-8-13-19-29)30-20-14-9-15-21-30/h7-23,27,33H,24-25H2,1-6H3/b23-22+/t27-,37?/m1/s1.
What are the key properties of N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide?
N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 547.84 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 132537284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).