N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

C19H21F2N3O3S — CID 53030297

About N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 53030297) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• PubChem CID: 53030297
• Molecular Formula: C19H21F2N3O3S
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.13
• IUPAC Name: N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• SMILES: Cc1ccc(F)cc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O
• InChI: InChI=1S/C19H21F2N3O3S/c1-14-6-7-17(21)11-18(14)22-19(25)13-24-9-3-8-23(28(24,26)27)12-15-4-2-5-16(20)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,22,25)
• InChIKey: ULHMTKYBCZBEKK-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 53030297) is N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1CCCN(Cc2cccc(F)c2)S1(=O)=O.

What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The InChIKey is ULHMTKYBCZBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-14-6-7-17(21)11-18(14)22-19(25)13-24-9-3-8-23(28(24,26)27)12-15-4-2-5-16(20)10-15/h2,4-7,10-11H,3,8-9,12-13H2,1H3,(H,22,25).

What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methylphenyl)-2-[6-[(3-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 53030297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).