N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C24H33NO3SSi — CID 11212940

IUPACN-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1C(=C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33NO3SSi/c1-9-18-25(29(26,27)21-16-14-19(2)15-17-21)23-13-11-10-12-22(23)20(3)28-30(7,8)24(4,5)6/h9-17H,1,3,18H2,2,4-8H3
InChIKeyAYJNJJXZVCQDTA-UHFFFAOYSA-N
MW443.69 g/mol
LogP6.37
Rot. Bonds8

About N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 11212940) has the molecular formula C24H33NO3SSi and a molecular weight of 443.69 g/mol. Its IUPAC name is N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID11212940
Molecular FormulaC24H33NO3SSi
Molecular Weight443.69 g/mol
Exact Mass443.20
IUPAC NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1C(=C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C24H33NO3SSi/c1-9-18-25(29(26,27)21-16-14-19(2)15-17-21)23-13-11-10-12-22(23)20(3)28-30(7,8)24(4,5)6/h9-17H,1,3,18H2,2,4-8H3
InChIKeyAYJNJJXZVCQDTA-UHFFFAOYSA-N
XLogP6.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.69
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 132517238
4-methyl-N-[2-[[(4-methylphenyl)sulfonyl-(2-trimethylsilylethynyl)amino]methyl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 138978700
ethyl (E)-2-bromo-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]prop-2-enoate
CID 11705349
4-methyl-N-[2-[4-[(4-methylphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 2801095
2-[[2-[(3-methylphenyl)sulfonyl-prop-2-enylamino]benzoyl]amino]acetate
CID 6977645
4-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-N-prop-2-enylbenzenesulfonamide
CID 101458711
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965
N-[2-[4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 2801093
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
CID 102356550
N-[2-[1-(4-fluorophenyl)ethenyl]phenyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 166064521
(3,3-dimethyl-2-oxobutyl) 2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate
CID 42977798

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 11212940) is N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1C(=C)O[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is AYJNJJXZVCQDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3SSi/c1-9-18-25(29(26,27)21-16-14-19(2)15-17-21)23-13-11-10-12-22(23)20(3)28-30(7,8)24(4,5)6/h9-17H,1,3,18H2,2,4-8H3.
What are the key properties of N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 443.69 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 11212940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).