5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one

C24H25NO4S — CID 157029185

IUPAC5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
SMILESC=CC(=O)CCCCc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1
InChIInChI=1S/C24H25NO4S/c1-2-19(26)6-4-3-5-17-7-9-18(10-8-17)20-16-30-24-21(27)15-22(29-23(20)24)25-11-13-28-14-12-25/h2,7-10,15-16H,1,3-6,11-14H2
InChIKeyYLRKQFPQZQSTRI-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.83
Rot. Bonds8

About 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one

5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one (PubChem CID 157029185) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
PubChem CID157029185
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
SMILESC=CC(=O)CCCCc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1
InChIInChI=1S/C24H25NO4S/c1-2-19(26)6-4-3-5-17-7-9-18(10-8-17)20-16-30-24-21(27)15-22(29-23(20)24)25-11-13-28-14-12-25/h2,7-10,15-16H,1,3-6,11-14H2
InChIKeyYLRKQFPQZQSTRI-UHFFFAOYSA-N
XLogP4.83
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
5-morpholin-4-yl-3-(4-prop-2-enoyl-2,3-dihydro-1H-quinoxalin-6-yl)thieno[3,2-b]pyran-7-one
CID 146320011
3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
CID 166764674
3-[4-[(2E,3Z)-3-ethenyl-2-(2-methylbutylidene)hexa-3,5-dienimidoyl]phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 142505768
N-hydroxy-N-[4-methoxy-3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]prop-2-enamide
CID 146310484
3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319968
5-morpholin-4-yl-3-(5-prop-2-enoyl-6,7-dihydropyridazino[3,4-b][1,4]oxazin-3-yl)thieno[3,2-b]pyran-7-one
CID 146320012
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one?
The IUPAC name of 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one (CID 157029185) is 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one?
The canonical SMILES for 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one is C=CC(=O)CCCCc1ccc(-c2csc3c(=O)cc(N4CCOCC4)oc23)cc1.
What is the InChIKey of 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one?
The InChIKey is YLRKQFPQZQSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-19(26)6-4-3-5-17-7-9-18(10-8-17)20-16-30-24-21(27)15-22(29-23(20)24)25-11-13-28-14-12-25/h2,7-10,15-16H,1,3-6,11-14H2.
What are the key properties of 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one?
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one has a molecular weight of 423.53 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 157029185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).