2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide

C17H21FN2O5S — CID 146114539

About 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide

2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide (PubChem CID 146114539) has the molecular formula C17H21FN2O5S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide
• PubChem CID: 146114539
• Molecular Formula: C17H21FN2O5S
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.12
• IUPAC Name: 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide
• SMILES: CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)Cc1cc(F)ccc1OC)C2
• InChI: InChI=1S/C17H21FN2O5S/c1-19-16(22)13-5-6-26(23,24)17(13)9-20(10-17)15(21)8-11-7-12(18)3-4-14(11)25-2/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,22)
• InChIKey: MLKALTURQGXNDB-UHFFFAOYSA-N
• XLogP: 0.14
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	0.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide?

The IUPAC name of 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide (CID 146114539) is 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide.

What is the SMILES notation for 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide?

The canonical SMILES for 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide is CNC(=O)C1CCS(=O)(=O)C12CN(C(=O)Cc1cc(F)ccc1OC)C2.

What is the InChIKey of 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide?

The InChIKey is MLKALTURQGXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5S/c1-19-16(22)13-5-6-26(23,24)17(13)9-20(10-17)15(21)8-11-7-12(18)3-4-14(11)25-2/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,19,22).

What are the key properties of 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide?

2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(5-fluoro-2-methoxyphenyl)acetyl]-N-methyl-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 146114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).