N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide

C24H45NO3SSi — CID 19915268

IUPACN-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N/C=C/c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C24H45NO3SSi/c1-5-9-10-11-12-13-14-15-16-17-20-29(26,27)25-19-18-23-21-24(28-22-23)30(6-2,7-3)8-4/h18-19,21-22,25H,5-17,20H2,1-4H3/b19-18+
InChIKeyDKTPVUCEBILCAS-VHEBQXMUSA-N
MW455.78 g/mol
LogP6.81
Rot. Bonds18

About N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide

N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide (PubChem CID 19915268) has the molecular formula C24H45NO3SSi and a molecular weight of 455.78 g/mol. Its IUPAC name is N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide.

Molecular Properties

Compound NameN-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
PubChem CID19915268
Molecular FormulaC24H45NO3SSi
Molecular Weight455.78 g/mol
Exact Mass455.29
IUPAC NameN-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
SMILESCCCCCCCCCCCCS(=O)(=O)N/C=C/c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C24H45NO3SSi/c1-5-9-10-11-12-13-14-15-16-17-20-29(26,27)25-19-18-23-21-24(28-22-23)30(6-2,7-3)8-4/h18-19,21-22,25H,5-17,20H2,1-4H3/b19-18+
InChIKeyDKTPVUCEBILCAS-VHEBQXMUSA-N
XLogP6.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.78
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide?
The IUPAC name of N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide (CID 19915268) is N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide.
What is the SMILES notation for N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide?
The canonical SMILES for N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide is CCCCCCCCCCCCS(=O)(=O)N/C=C/c1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide?
The InChIKey is DKTPVUCEBILCAS-VHEBQXMUSA-N. The full InChI is InChI=1S/C24H45NO3SSi/c1-5-9-10-11-12-13-14-15-16-17-20-29(26,27)25-19-18-23-21-24(28-22-23)30(6-2,7-3)8-4/h18-19,21-22,25H,5-17,20H2,1-4H3/b19-18+.
What are the key properties of N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide?
N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide has a molecular weight of 455.78 g/mol, XLogP of 6.81, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide is sourced from PubChem (CID 19915268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).