N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

C22H24FN3O6S — CID 162463919

About N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide

N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (PubChem CID 162463919) has the molecular formula C22H24FN3O6S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
• PubChem CID: 162463919
• Molecular Formula: C22H24FN3O6S
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.14
• IUPAC Name: N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide
• SMILES: O=C(NCC1CN(c2ccc(N3CCC4(CC3)CS(=O)(=O)C4)c(F)c2)C(=O)O1)c1ccco1
• InChI: InChI=1S/C22H24FN3O6S/c23-17-10-15(3-4-18(17)25-7-5-22(6-8-25)13-33(29,30)14-22)26-12-16(32-21(26)28)11-24-20(27)19-2-1-9-31-19/h1-4,9-10,16H,5-8,11-14H2,(H,24,27)
• InChIKey: VQQWOPHOUIJWKT-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 109.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The IUPAC name of N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide (CID 162463919) is N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The canonical SMILES for N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is O=C(NCC1CN(c2ccc(N3CCC4(CC3)CS(=O)(=O)C4)c(F)c2)C(=O)O1)c1ccco1.

What is the InChIKey of N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

The InChIKey is VQQWOPHOUIJWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S/c23-17-10-15(3-4-18(17)25-7-5-22(6-8-25)13-33(29,30)14-22)26-12-16(32-21(26)28)11-24-20(27)19-2-1-9-31-19/h1-4,9-10,16H,5-8,11-14H2,(H,24,27).

What are the key properties of N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide?

N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 162463919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).