2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

C21H25F3N4O7S — CID 24820035

About 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 24820035) has the molecular formula C21H25F3N4O7S and a molecular weight of 534.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
• PubChem CID: 24820035
• Molecular Formula: C21H25F3N4O7S
• Molecular Weight: 534.51 g/mol
• Exact Mass: 534.14
• IUPAC Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
• SMILES: O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F
• InChI: InChI=1S/C21H25F3N4O7S/c22-21(23,24)13-35-16-4-3-14(36(32,33)27-7-9-34-10-8-27)11-15(16)25-17(29)12-28-18(30)20(26-19(28)31)5-1-2-6-20/h3-4,11H,1-2,5-10,12-13H2,(H,25,29)(H,26,31)
• InChIKey: HDKGELKPZUMECN-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 134.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.51
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?

The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 24820035) is 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide.

What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?

The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F.

What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?

The InChIKey is HDKGELKPZUMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O7S/c22-21(23,24)13-35-16-4-3-14(36(32,33)27-7-9-34-10-8-27)11-15(16)25-17(29)12-28-18(30)20(26-19(28)31)5-1-2-6-20/h3-4,11H,1-2,5-10,12-13H2,(H,25,29)(H,26,31).

What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide?

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 534.51 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 24820035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).