ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane

C24H35NO3S — CID 142505695

About ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane

ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane (PubChem CID 142505695) has the molecular formula C24H35NO3S and a molecular weight of 417.62 g/mol. Its IUPAC name is ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane.

Molecular Properties

• Compound Name: ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane
• PubChem CID: 142505695
• Molecular Formula: C24H35NO3S
• Molecular Weight: 417.62 g/mol
• Exact Mass: 417.23
• IUPAC Name: ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane
• SMILES: C/C=C\C=C(/C=C\C)c1csc2c(=O)cc(N3CCOCC3)oc12.CC.CCC
• InChI: InChI=1S/C19H21NO3S.C3H8.C2H6/c1-3-5-7-14(6-4-2)15-13-24-19-16(21)12-17(23-18(15)19)20-8-10-22-11-9-20;1-3-2;1-2/h3-7,12-13H,8-11H2,1-2H3;3H2,1-2H3;1-2H3/b5-3-,6-4-,14-7+
• InChIKey: NGSZFFNTUOUCMG-RBZFWKFQSA-N
• XLogP: 6.67
• TPSA: 42.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.62
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane?

The IUPAC name of ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane (CID 142505695) is ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane.

What is the SMILES notation for ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane?

The canonical SMILES for ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane is C/C=C\C=C(/C=C\C)c1csc2c(=O)cc(N3CCOCC3)oc12.CC.CCC.

What is the InChIKey of ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane?

The InChIKey is NGSZFFNTUOUCMG-RBZFWKFQSA-N. The full InChI is InChI=1S/C19H21NO3S.C3H8.C2H6/c1-3-5-7-14(6-4-2)15-13-24-19-16(21)12-17(23-18(15)19)20-8-10-22-11-9-20;1-3-2;1-2/h3-7,12-13H,8-11H2,1-2H3;3H2,1-2H3;1-2H3/b5-3-,6-4-,14-7+;;.

What are the key properties of ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane?

ethane;5-morpholin-4-yl-3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane has a molecular weight of 417.62 g/mol, XLogP of 6.67, 4 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-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]thieno[3,2-b]pyran-7-one;propane is sourced from PubChem (CID 142505695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).