2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

C20H22N2O4S — CID 16823215

About 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide

2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (PubChem CID 16823215) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
• PubChem CID: 16823215
• Molecular Formula: C20H22N2O4S
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.13
• IUPAC Name: 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide
• SMILES: COc1ccc(C)cc1S(=O)(=O)Nc1cc2c3c(c1)C(C)C(=O)N3CCC2
• InChI: InChI=1S/C20H22N2O4S/c1-12-6-7-17(26-3)18(9-12)27(24,25)21-15-10-14-5-4-8-22-19(14)16(11-15)13(2)20(22)23/h6-7,9-11,13,21H,4-5,8H2,1-3H3
• InChIKey: YFRRRHRVMUOXJL-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?

The IUPAC name of 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide (CID 16823215) is 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide.

What is the SMILES notation for 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?

The canonical SMILES for 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cc2c3c(c1)C(C)C(=O)N3CCC2.

What is the InChIKey of 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?

The InChIKey is YFRRRHRVMUOXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-12-6-7-17(26-3)18(9-12)27(24,25)21-15-10-14-5-4-8-22-19(14)16(11-15)13(2)20(22)23/h6-7,9-11,13,21H,4-5,8H2,1-3H3.

What are the key properties of 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide?

2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-methyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzenesulfonamide is sourced from PubChem (CID 16823215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).