ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate

C14H23NO5SSi — CID 101187677

IUPACethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)O[Si](C)(C)C
InChIInChI=1S/C14H23NO5SSi/c1-6-19-14(16)13(20-22(3,4)5)15-21(17,18)12-9-7-11(2)8-10-12/h7-10,13,15H,6H2,1-5H3
InChIKeyXNXHKOZCFDUVLX-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.01
Rot. Bonds7

About ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate

ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate (PubChem CID 101187677) has the molecular formula C14H23NO5SSi and a molecular weight of 345.49 g/mol. Its IUPAC name is ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate
PubChem CID101187677
Molecular FormulaC14H23NO5SSi
Molecular Weight345.49 g/mol
Exact Mass345.11
IUPAC Nameethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate
SMILESCCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)O[Si](C)(C)C
InChIInChI=1S/C14H23NO5SSi/c1-6-19-14(16)13(20-22(3,4)5)15-21(17,18)12-9-7-11(2)8-10-12/h7-10,13,15H,6H2,1-5H3
InChIKeyXNXHKOZCFDUVLX-UHFFFAOYSA-N
XLogP2.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2-bis[(4-methylphenyl)sulfonylamino]acetate
CID 11133698
diethyl 2-[(4-methylphenyl)-[(4-methylphenyl)sulfonylamino]methyl]propanedioate
CID 23659117
ethyl (2S,3S)-2-hydroxy-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 59033490
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-phenylacetate
CID 67891408
ethyl 3-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 4013982
ethyl 2-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetate
CID 24777338
butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
dimethyl 2-[(4-methylphenyl)sulfonylamino]propanedioate
CID 11141140
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
diethyl 2-dimethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]butanedioate
CID 54763274
ethyl 2-(cyclopropanecarbonyl)-3-[(4-methylphenyl)sulfonylamino]butanoate
CID 102487273
ethyl 3-cyclohexyl-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 15533211

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate?
The IUPAC name of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate (CID 101187677) is ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate.
What is the SMILES notation for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate?
The canonical SMILES for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate is CCOC(=O)C(NS(=O)(=O)c1ccc(C)cc1)O[Si](C)(C)C.
What is the InChIKey of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate?
The InChIKey is XNXHKOZCFDUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5SSi/c1-6-19-14(16)13(20-22(3,4)5)15-21(17,18)12-9-7-11(2)8-10-12/h7-10,13,15H,6H2,1-5H3.
What are the key properties of ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate?
ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate has a molecular weight of 345.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylphenyl)sulfonylamino]-2-trimethylsilyloxyacetate is sourced from PubChem (CID 101187677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).