1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide

C24H47NO4SSi — CID 19019858

IUPAC1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide
SMILESCCCCCCCCCCC(CO)S(=O)(=O)NCCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C24H47NO4SSi/c1-5-9-10-11-12-13-14-15-16-23(20-26)30(27,28)25-18-17-22-19-24(29-21-22)31(6-2,7-3)8-4/h19,21,23,25-26H,5-18,20H2,1-4H3
InChIKeyYEULGJZGPUPDHL-UHFFFAOYSA-N
MW473.80 g/mol
LogP5.35
Rot. Bonds19

About 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide

1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide (PubChem CID 19019858) has the molecular formula C24H47NO4SSi and a molecular weight of 473.80 g/mol. Its IUPAC name is 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide
PubChem CID19019858
Molecular FormulaC24H47NO4SSi
Molecular Weight473.80 g/mol
Exact Mass473.30
IUPAC Name1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide
SMILESCCCCCCCCCCC(CO)S(=O)(=O)NCCc1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C24H47NO4SSi/c1-5-9-10-11-12-13-14-15-16-23(20-26)30(27,28)25-18-17-22-19-24(29-21-22)31(6-2,7-3)8-4/h19,21,23,25-26H,5-18,20H2,1-4H3
InChIKeyYEULGJZGPUPDHL-UHFFFAOYSA-N
XLogP5.35
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.80
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(5-trimethylsilylfuran-3-yl)propyl]dodecanoic acid
CID 70373383
[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane
CID 15037123
triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane
CID 54439251
[dodecan-2-ylsulfonyl-[1-(5-triethylsilylfuran-3-yl)ethyl]amino] acetate
CID 57000508
N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
CID 19019904
N-[(E)-2-(5-triethylsilylfuran-3-yl)ethenyl]dodecane-1-sulfonamide
CID 19915268
(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate
CID 19019864
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
CID 57127967
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
N-heptyl-6-hydroxy-2-methylheptane-3-sulfonamide
CID 139610234
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide?
The IUPAC name of 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide (CID 19019858) is 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide.
What is the SMILES notation for 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide?
The canonical SMILES for 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide is CCCCCCCCCCC(CO)S(=O)(=O)NCCc1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide?
The InChIKey is YEULGJZGPUPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO4SSi/c1-5-9-10-11-12-13-14-15-16-23(20-26)30(27,28)25-18-17-22-19-24(29-21-22)31(6-2,7-3)8-4/h19,21,23,25-26H,5-18,20H2,1-4H3.
What are the key properties of 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide?
1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide has a molecular weight of 473.80 g/mol, XLogP of 5.35, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide is sourced from PubChem (CID 19019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).