ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one

C22H25NO4S — CID 142505751

IUPACethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
SMILESCC.CCC(=O)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C20H19NO4S.C2H6/c1-2-16(22)14-5-3-4-13(10-14)15-12-26-20-17(23)11-18(25-19(15)20)21-6-8-24-9-7-21;1-2/h3-5,10-12H,2,6-9H2,1H3;1-2H3
InChIKeyRJNIQXRMCPQLDI-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.98
Rot. Bonds4

About ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one

ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one (PubChem CID 142505751) has the molecular formula C22H25NO4S and a molecular weight of 399.51 g/mol. Its IUPAC name is ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Nameethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
PubChem CID142505751
Molecular FormulaC22H25NO4S
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC Nameethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
SMILESCC.CCC(=O)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C20H19NO4S.C2H6/c1-2-16(22)14-5-3-4-13(10-14)15-12-26-20-17(23)11-18(25-19(15)20)21-6-8-24-9-7-21;1-2/h3-5,10-12H,2,6-9H2,1H3;1-2H3
InChIKeyRJNIQXRMCPQLDI-UHFFFAOYSA-N
XLogP4.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
3-(1-but-2-ynoylindazol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146320030
3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319968
3-[3-[(E)-1-(2-amino-6-hydroxyphenyl)but-1-enyl]phenyl]-5-(4-methylpiperazin-1-yl)thieno[3,2-b]pyran-7-one
CID 142505761
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
tert-butyl 4-[3-[3-(methylamino)phenyl]-7-oxothieno[3,2-b]pyran-5-yl]piperazine-1-carboxylate
CID 153397314
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811
2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
CID 166764674

Frequently Asked Questions

What is the IUPAC name of ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one?
The IUPAC name of ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one (CID 142505751) is ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one.
What is the SMILES notation for ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one?
The canonical SMILES for ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one is CC.CCC(=O)c1cccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)c1.
What is the InChIKey of ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one?
The InChIKey is RJNIQXRMCPQLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S.C2H6/c1-2-16(22)14-5-3-4-13(10-14)15-12-26-20-17(23)11-18(25-19(15)20)21-6-8-24-9-7-21;1-2/h3-5,10-12H,2,6-9H2,1H3;1-2H3.
What are the key properties of ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one?
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one has a molecular weight of 399.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 142505751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).