ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one

C19H21NO3S — CID 143839150

IUPACethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
SMILESCC.O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)csc12
InChIInChI=1S/C17H15NO3S.C2H6/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12;1-2/h1-5,10-11H,6-9H2;1-2H3
InChIKeyBUXXKUPSDWUVJB-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.38
Rot. Bonds2

About ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one

ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one (PubChem CID 143839150) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Nameethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
PubChem CID143839150
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nameethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
SMILESCC.O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)csc12
InChIInChI=1S/C17H15NO3S.C2H6/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12;1-2/h1-5,10-11H,6-9H2;1-2H3
InChIKeyBUXXKUPSDWUVJB-UHFFFAOYSA-N
XLogP4.38
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
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
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
2-morpholin-4-yl-8-phenylchromen-4-one
CID 3973
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
8-methyl-2-morpholin-4-yl-7-phenylchromen-4-one
CID 21460270
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-(1-but-2-ynoylindazol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146320030

Frequently Asked Questions

What is the IUPAC name of ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one?
The IUPAC name of ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one (CID 143839150) is ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one.
What is the SMILES notation for ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one?
The canonical SMILES for ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one is CC.O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)csc12.
What is the InChIKey of ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one?
The InChIKey is BUXXKUPSDWUVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S.C2H6/c19-14-10-15(18-6-8-20-9-7-18)21-16-13(11-22-17(14)16)12-4-2-1-3-5-12;1-2/h1-5,10-11H,6-9H2;1-2H3.
What are the key properties of ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one?
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one has a molecular weight of 343.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one is sourced from PubChem (CID 143839150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).