2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide

C22H29N3O3S — CID 53199082

About 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53199082) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 53199082
• Molecular Formula: C22H29N3O3S
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.19
• IUPAC Name: 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)S1(=O)=O
• InChI: InChI=1S/C22H29N3O3S/c1-17(2)19-9-11-21(12-10-19)23-22(26)16-25-14-6-13-24(29(25,27)28)15-20-8-5-4-7-18(20)3/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,23,26)
• InChIKey: OMUGBAASYONAGY-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 53199082) is 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1ccccc1CN1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)S1(=O)=O.

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

The InChIKey is OMUGBAASYONAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17(2)19-9-11-21(12-10-19)23-22(26)16-25-14-6-13-24(29(25,27)28)15-20-8-5-4-7-18(20)3/h4-5,7-12,17H,6,13-16H2,1-3H3,(H,23,26).

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

2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(2-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53199082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).