ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide

C28H37N3O2S — CID 142224880

About ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide

ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide (PubChem CID 142224880) has the molecular formula C28H37N3O2S and a molecular weight of 479.69 g/mol. Its IUPAC name is ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide.

Molecular Properties

• Compound Name: ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide
• PubChem CID: 142224880
• Molecular Formula: C28H37N3O2S
• Molecular Weight: 479.69 g/mol
• Exact Mass: 479.26
• IUPAC Name: ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide
• SMILES: C=C/C=C\C=C.CC.CCC(CC)S(=O)Nc1cc(=O)c2cnc(C)cc2n1-c1ccccc1
• InChI: InChI=1S/C20H23N3O2S.C6H8.C2H6/c1-4-16(5-2)26(25)22-20-12-19(24)17-13-21-14(3)11-18(17)23(20)15-9-7-6-8-10-15;1-3-5-6-4-2;1-2/h6-13,16,22H,4-5H2,1-3H3;3-6H,1-2H2;1-2H3/b;6-5-
• InChIKey: SKJWLIZSNODPMR-XRPAZMCKSA-N
• XLogP: 6.90
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.69
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide?

The IUPAC name of ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide (CID 142224880) is ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide.

What is the SMILES notation for ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide?

The canonical SMILES for ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide is C=C/C=C\C=C.CC.CCC(CC)S(=O)Nc1cc(=O)c2cnc(C)cc2n1-c1ccccc1.

What is the InChIKey of ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide?

The InChIKey is SKJWLIZSNODPMR-XRPAZMCKSA-N. The full InChI is InChI=1S/C20H23N3O2S.C6H8.C2H6/c1-4-16(5-2)26(25)22-20-12-19(24)17-13-21-14(3)11-18(17)23(20)15-9-7-6-8-10-15;1-3-5-6-4-2;1-2/h6-13,16,22H,4-5H2,1-3H3;3-6H,1-2H2;1-2H3/b;6-5-;.

What are the key properties of ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide?

ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide has a molecular weight of 479.69 g/mol, XLogP of 6.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(3Z)-hexa-1,3,5-triene;N-(7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-2-yl)pentane-3-sulfinamide is sourced from PubChem (CID 142224880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).