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

C19H22FN3O4S — CID 46341936

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

N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 46341936) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• PubChem CID: 46341936
• Molecular Formula: C19H22FN3O4S
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.13
• IUPAC Name: N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• SMILES: COc1cccc(CN2CCCN(CC(=O)Nc3ccccc3F)S2(=O)=O)c1
• InChI: InChI=1S/C19H22FN3O4S/c1-27-16-7-4-6-15(12-16)13-22-10-5-11-23(28(22,25)26)14-19(24)21-18-9-3-2-8-17(18)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24)
• InChIKey: KRNWJJCEOJQQKB-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 46341936) is N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

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

The canonical SMILES for N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is COc1cccc(CN2CCCN(CC(=O)Nc3ccccc3F)S2(=O)=O)c1.

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

The InChIKey is KRNWJJCEOJQQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-27-16-7-4-6-15(12-16)13-22-10-5-11-23(28(22,25)26)14-19(24)21-18-9-3-2-8-17(18)20/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H,21,24).

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

N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[6-[(3-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 46341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).