ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate

C17H19NO6S — CID 156856327

IUPACethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate
SMILESCCOC(=O)C(OS(C)(=O)=O)c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C17H19NO6S/c1-3-22-17(19)16(24-25(2,20)21)14-10-7-11-15(18-14)23-12-13-8-5-4-6-9-13/h4-11,16H,3,12H2,1-2H3
InChIKeySLRSGTXLTLKZRF-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.24
Rot. Bonds8

About ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate

ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate (PubChem CID 156856327) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate
PubChem CID156856327
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Nameethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate
SMILESCCOC(=O)C(OS(C)(=O)=O)c1cccc(OCc2ccccc2)n1
InChIInChI=1S/C17H19NO6S/c1-3-22-17(19)16(24-25(2,20)21)14-10-7-11-15(18-14)23-12-13-8-5-4-6-9-13/h4-11,16H,3,12H2,1-2H3
InChIKeySLRSGTXLTLKZRF-UHFFFAOYSA-N
XLogP2.24
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

dibenzyl 2-[(1S)-1-methylsulfonyloxybutyl]propanedioate
CID 86606020
(1R)-1-[6-(2-phenylethoxy)-2-pyridinyl]butan-1-ol
CID 122542919
1-(phenylmethoxycarbonylamino)butyl methanesulfonate
CID 89158440
ethyl 3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
CID 139270311
ethyl (Z)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(6-phenylmethoxy-2-pyridinyl)prop-2-enoate
CID 129017267
ethyl 2-amino-2-(6-methyl-2-pyridinyl)acetate
CID 3937325
ethyl (3R)-3-amino-2-fluoro-3-(6-methyl-2-pyridinyl)propanoate;hydrochloride
CID 171243263
[(2R)-1-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate
CID 141014757
ethyl (2R)-2-amino-3-[3-(4-phenylmethoxyphenyl)phenyl]propanoate
CID 154815424
N-(2-methylpropyl)-6-phenylmethoxypyridine-2-sulfonamide
CID 15729613
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542
ethyl 2-[(Z)-[(3aR,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-ylidene]methyl]-3-methylsulfonyloxy-3-pyridin-2-ylpropanoate
CID 11620753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate (CID 156856327) is ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate is CCOC(=O)C(OS(C)(=O)=O)c1cccc(OCc2ccccc2)n1.
What is the InChIKey of ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate?
The InChIKey is SLRSGTXLTLKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-3-22-17(19)16(24-25(2,20)21)14-10-7-11-15(18-14)23-12-13-8-5-4-6-9-13/h4-11,16H,3,12H2,1-2H3.
What are the key properties of ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate?
ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate has a molecular weight of 365.41 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfonyloxy-2-(6-phenylmethoxy-2-pyridinyl)acetate is sourced from PubChem (CID 156856327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).