2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide

C22H28FN3O3S — CID 46341868

About 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide

2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 46341868) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide
• PubChem CID: 46341868
• Molecular Formula: C22H28FN3O3S
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.18
• IUPAC Name: 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide
• SMILES: CC(CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O
• InChI: InChI=1S/C22H28FN3O3S/c1-18(12-13-19-8-3-2-4-9-19)24-22(27)17-26-15-7-14-25(30(26,28)29)16-20-10-5-6-11-21(20)23/h2-6,8-11,18H,7,12-17H2,1H3,(H,24,27)
• InChIKey: IEQNTEULHRKILM-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	2.72
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-(4-phenylbutan-2-yl)acetamide?

The IUPAC name of 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide (CID 46341868) is 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide.

What is the SMILES notation for 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide?

The canonical SMILES for 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1CCCN(Cc2ccccc2F)S1(=O)=O.

What is the InChIKey of 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide?

The InChIKey is IEQNTEULHRKILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-18(12-13-19-8-3-2-4-9-19)24-22(27)17-26-15-7-14-25(30(26,28)29)16-20-10-5-6-11-21(20)23/h2-6,8-11,18H,7,12-17H2,1H3,(H,24,27).

What are the key properties of 2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide?

2-[6-[(2-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 433.55 g/mol, XLogP of 2.72, 8 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-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 46341868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).