2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate

C22H23NO5S — CID 22763972

IUPAC2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate
SMILESCC(C(=O)OCCN1CCOCC1)c1ccc2oc(-c3cccs3)cc(=O)c2c1
InChIInChI=1S/C22H23NO5S/c1-15(22(25)27-11-8-23-6-9-26-10-7-23)16-4-5-19-17(13-16)18(24)14-20(28-19)21-3-2-12-29-21/h2-5,12-15H,6-11H2,1H3
InChIKeyLYQHYTYIQUAEBT-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.50
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate

2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate (PubChem CID 22763972) has the molecular formula C22H23NO5S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate
PubChem CID22763972
Molecular FormulaC22H23NO5S
Molecular Weight413.50 g/mol
Exact Mass413.13
IUPAC Name2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate
SMILESCC(C(=O)OCCN1CCOCC1)c1ccc2oc(-c3cccs3)cc(=O)c2c1
InChIInChI=1S/C22H23NO5S/c1-15(22(25)27-11-8-23-6-9-26-10-7-23)16-4-5-19-17(13-16)18(24)14-20(28-19)21-3-2-12-29-21/h2-5,12-15H,6-11H2,1H3
InChIKeyLYQHYTYIQUAEBT-UHFFFAOYSA-N
XLogP3.50
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate (CID 22763972) is 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate is CC(C(=O)OCCN1CCOCC1)c1ccc2oc(-c3cccs3)cc(=O)c2c1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate?
The InChIKey is LYQHYTYIQUAEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5S/c1-15(22(25)27-11-8-23-6-9-26-10-7-23)16-4-5-19-17(13-16)18(24)14-20(28-19)21-3-2-12-29-21/h2-5,12-15H,6-11H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate?
2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate has a molecular weight of 413.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-(4-oxo-2-thiophen-2-ylchromen-6-yl)propanoate is sourced from PubChem (CID 22763972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).