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

C19H22FN3O3S — CID 53029108

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

2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53029108) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 53029108
• Molecular Formula: C19H22FN3O3S
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.14
• IUPAC Name: 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)c1
• InChI: InChI=1S/C19H22FN3O3S/c1-15-6-4-8-17(12-15)21-19(24)14-23-11-5-10-22(27(23,25)26)13-16-7-2-3-9-18(16)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)
• InChIKey: YBJHGAUMMHGZPZ-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide (CID 53029108) is 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide.

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

The canonical SMILES for 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCCN(Cc3ccccc3F)S2(=O)=O)c1.

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

The InChIKey is YBJHGAUMMHGZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-15-6-4-8-17(12-15)21-19(24)14-23-11-5-10-22(27(23,25)26)13-16-7-2-3-9-18(16)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24).

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

2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53029108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).