ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate

C19H19FO4S — CID 146165728

IUPACethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate
SMILESCCOC(=O)[C@H](Sc1ccccc1)c1cccc(F)c1CC(=O)OC
InChIInChI=1S/C19H19FO4S/c1-3-24-19(22)18(25-13-8-5-4-6-9-13)14-10-7-11-16(20)15(14)12-17(21)23-2/h4-11,18H,3,12H2,1-2H3/t18-/m1/s1
InChIKeyPDUBMVNEJUOCBR-GOSISDBHSA-N
MW362.42 g/mol
LogP3.94
Rot. Bonds7

About ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate

ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate (PubChem CID 146165728) has the molecular formula C19H19FO4S and a molecular weight of 362.42 g/mol. Its IUPAC name is ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate
PubChem CID146165728
Molecular FormulaC19H19FO4S
Molecular Weight362.42 g/mol
Exact Mass362.10
IUPAC Nameethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate
SMILESCCOC(=O)[C@H](Sc1ccccc1)c1cccc(F)c1CC(=O)OC
InChIInChI=1S/C19H19FO4S/c1-3-24-19(22)18(25-13-8-5-4-6-9-13)14-10-7-11-16(20)15(14)12-17(21)23-2/h4-11,18H,3,12H2,1-2H3/t18-/m1/s1
InChIKeyPDUBMVNEJUOCBR-GOSISDBHSA-N
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate?
The IUPAC name of ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate (CID 146165728) is ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate?
The canonical SMILES for ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate is CCOC(=O)[C@H](Sc1ccccc1)c1cccc(F)c1CC(=O)OC.
What is the InChIKey of ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate?
The InChIKey is PDUBMVNEJUOCBR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FO4S/c1-3-24-19(22)18(25-13-8-5-4-6-9-13)14-10-7-11-16(20)15(14)12-17(21)23-2/h4-11,18H,3,12H2,1-2H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate?
ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate has a molecular weight of 362.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-fluoro-2-(2-methoxy-2-oxoethyl)phenyl]-2-phenylsulfanylacetate is sourced from PubChem (CID 146165728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).