5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

C18H26N2O4S — CID 98054835

About 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide

5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 98054835) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
• PubChem CID: 98054835
• Molecular Formula: C18H26N2O4S
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.16
• IUPAC Name: 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide
• SMILES: COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C
• InChI: InChI=1S/C18H26N2O4S/c1-11(2)19-18(21)15-10-14(6-7-17(15)24-3)25(22,23)20-16-9-12-4-5-13(16)8-12/h6-7,10-13,16,20H,4-5,8-9H2,1-3H3,(H,19,21)/t12-,13-,16-/m1/s1
• InChIKey: VYDWXIRVRDOPGR-XJKCOSOUSA-N
• XLogP: 2.30
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?

The IUPAC name of 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide (CID 98054835) is 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?

The canonical SMILES for 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1C(=O)NC(C)C.

What is the InChIKey of 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?

The InChIKey is VYDWXIRVRDOPGR-XJKCOSOUSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-11(2)19-18(21)15-10-14(6-7-17(15)24-3)25(22,23)20-16-9-12-4-5-13(16)8-12/h6-7,10-13,16,20H,4-5,8-9H2,1-3H3,(H,19,21)/t12-,13-,16-/m1/s1.

What are the key properties of 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide?

5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 98054835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).