GSZOEUFIGPFWHR-UHFFFAOYSA-N

C₂₆H₃₂N₂O₆S₂ — CID 135507557

About GSZOEUFIGPFWHR-UHFFFAOYSA-N

GSZOEUFIGPFWHR-UHFFFAOYSA-N (PubChem CID 135507557) has the molecular formula C₂₆H₃₂N₂O₆S₂ and a molecular weight of 532.68 g/mol. Its IUPAC name is 1,1-dibutyl-4-hydroxy-3-[7-(methoxymethoxymethyl)-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-3-yl]naphthalen-2-one.

Molecular Properties

• Compound Name: GSZOEUFIGPFWHR-UHFFFAOYSA-N
• PubChem CID: 135507557
• Molecular Formula: C₂₆H₃₂N₂O₆S₂
• Molecular Weight: 532.68 g/mol
• Exact Mass: 532.17
• IUPAC Name: 1,1-dibutyl-4-hydroxy-3-[7-(methoxymethoxymethyl)-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-3-yl]naphthalen-2-one
• SMILES: CCCCC1(CCCC)C(=O)C(C2=NS(=O)(=O)c3c(COCOC)csc3N2)=C(O)c2ccccc21
• InChI: InChI=1S/C26H32N2O6S2/c1-4-6-12-26(13-7-5-2)19-11-9-8-10-18(19)21(29)20(23(26)30)24-27-25-22(36(31,32)28-24)17(15-35-25)14-34-16-33-3/h8-11,15,29H,4-7,12-14,16H2,1-3H3,(H,27,28)
• InChIKey: GSZOEUFIGPFWHR-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 114.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.68
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of GSZOEUFIGPFWHR-UHFFFAOYSA-N?

The IUPAC name of GSZOEUFIGPFWHR-UHFFFAOYSA-N (CID 135507557) is 1,1-dibutyl-4-hydroxy-3-[7-(methoxymethoxymethyl)-1,1-dioxo-4H-thieno[2,3-e][1,2,4]thiadiazin-3-yl]naphthalen-2-one.

What is the SMILES notation for GSZOEUFIGPFWHR-UHFFFAOYSA-N?

The canonical SMILES for GSZOEUFIGPFWHR-UHFFFAOYSA-N is CCCCC1(CCCC)C(=O)C(C2=NS(=O)(=O)c3c(COCOC)csc3N2)=C(O)c2ccccc21.

What is the InChIKey of GSZOEUFIGPFWHR-UHFFFAOYSA-N?

The InChIKey is GSZOEUFIGPFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O6S2/c1-4-6-12-26(13-7-5-2)19-11-9-8-10-18(19)21(29)20(23(26)30)24-27-25-22(36(31,32)28-24)17(15-35-25)14-34-16-33-3/h8-11,15,29H,4-7,12-14,16H2,1-3H3,(H,27,28).

What are the key properties of GSZOEUFIGPFWHR-UHFFFAOYSA-N?

GSZOEUFIGPFWHR-UHFFFAOYSA-N has a molecular weight of 532.68 g/mol, XLogP of 5.55, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for GSZOEUFIGPFWHR-UHFFFAOYSA-N is sourced from PubChem (CID 135507557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135507557 — identifiers, structure, computed properties (public domain)

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