ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate

C15H17FN2O5S2 — CID 56764878

IUPACethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O5S2/c1-2-22-14(19)9-12-10-24-15(17-12)18-25(20,21)8-7-23-13-5-3-11(16)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,17,18)
InChIKeyLCELJSIRBKXVDY-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.21
Rot. Bonds9

About ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 56764878) has the molecular formula C15H17FN2O5S2 and a molecular weight of 388.44 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID56764878
Molecular FormulaC15H17FN2O5S2
Molecular Weight388.44 g/mol
Exact Mass388.06
IUPAC Nameethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN2O5S2/c1-2-22-14(19)9-12-10-24-15(17-12)18-25(20,21)8-7-23-13-5-3-11(16)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,17,18)
InChIKeyLCELJSIRBKXVDY-UHFFFAOYSA-N
XLogP2.21
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate (CID 56764878) is ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)CCOc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is LCELJSIRBKXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5S2/c1-2-22-14(19)9-12-10-24-15(17-12)18-25(20,21)8-7-23-13-5-3-11(16)4-6-13/h3-6,10H,2,7-9H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 388.44 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-fluorophenoxy)ethylsulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 56764878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).