1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide

C19H29NO5S — CID 4010573

About 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide (PubChem CID 4010573) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
• PubChem CID: 4010573
• Molecular Formula: C19H29NO5S
• Molecular Weight: 383.51 g/mol
• Exact Mass: 383.18
• IUPAC Name: 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
• SMILES: COCCN(Cc1ccc(C)o1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
• InChI: InChI=1S/C19H29NO5S/c1-14-5-6-16(25-14)12-20(9-10-24-4)26(22,23)13-19-8-7-15(11-17(19)21)18(19,2)3/h5-6,15H,7-13H2,1-4H3
• InChIKey: SXUOLZGYBPYMLA-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.51
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?

The IUPAC name of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide (CID 4010573) is 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide.

What is the SMILES notation for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?

The canonical SMILES for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide is COCCN(Cc1ccc(C)o1)S(=O)(=O)CC12CCC(CC1=O)C2(C)C.

What is the InChIKey of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?

The InChIKey is SXUOLZGYBPYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-14-5-6-16(25-14)12-20(9-10-24-4)26(22,23)13-19-8-7-15(11-17(19)21)18(19,2)3/h5-6,15H,7-13H2,1-4H3.

What are the key properties of 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide?

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 4010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).