ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate

C23H19NO4S — CID 71157114

IUPACethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C23H19NO4S/c1-2-26-23(25)22(16-8-4-3-5-9-16)28-21-15-17(19-10-6-12-27-19)14-18(24-21)20-11-7-13-29-20/h3-15,22H,2H2,1H3
InChIKeyRSTNQJQVXJMIRY-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.75
Rot. Bonds7

About ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate

ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate (PubChem CID 71157114) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
PubChem CID71157114
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Nameethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate
SMILESCCOC(=O)C(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1
InChIInChI=1S/C23H19NO4S/c1-2-26-23(25)22(16-8-4-3-5-9-16)28-21-15-17(19-10-6-12-27-19)14-18(24-21)20-11-7-13-29-20/h3-15,22H,2H2,1H3
InChIKeyRSTNQJQVXJMIRY-UHFFFAOYSA-N
XLogP5.75
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate?
The IUPAC name of ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate (CID 71157114) is ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate?
The canonical SMILES for ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate is CCOC(=O)C(Oc1cc(-c2ccco2)cc(-c2cccs2)n1)c1ccccc1.
What is the InChIKey of ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate?
The InChIKey is RSTNQJQVXJMIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-2-26-23(25)22(16-8-4-3-5-9-16)28-21-15-17(19-10-6-12-27-19)14-18(24-21)20-11-7-13-29-20/h3-15,22H,2H2,1H3.
What are the key properties of ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate?
ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate has a molecular weight of 405.48 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(furan-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-2-phenylacetate is sourced from PubChem (CID 71157114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).