3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide

C26H31N3O5S — CID 40984734

About 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide

3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide (PubChem CID 40984734) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
• PubChem CID: 40984734
• Molecular Formula: C26H31N3O5S
• Molecular Weight: 497.62 g/mol
• Exact Mass: 497.20
• IUPAC Name: 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1
• InChI: InChI=1S/C26H31N3O5S/c1-28(19-20-9-4-3-5-10-20)35(31,32)25-17-21(12-13-24(25)33-2)26(30)27-18-22(23-11-8-16-34-23)29-14-6-7-15-29/h3-5,8-13,16-17,22H,6-7,14-15,18-19H2,1-2H3,(H,27,30)/t22-/m1/s1
• InChIKey: PHNNRGHGOBXKQH-JOCHJYFZSA-N
• XLogP: 3.68
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.62
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?

The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide (CID 40984734) is 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide.

What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?

The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)cc1S(=O)(=O)N(C)Cc1ccccc1.

What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?

The InChIKey is PHNNRGHGOBXKQH-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-28(19-20-9-4-3-5-10-20)35(31,32)25-17-21(12-13-24(25)33-2)26(30)27-18-22(23-11-8-16-34-23)29-14-6-7-15-29/h3-5,8-13,16-17,22H,6-7,14-15,18-19H2,1-2H3,(H,27,30)/t22-/m1/s1.

What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide?

3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide has a molecular weight of 497.62 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[benzyl(methyl)sulfamoyl]-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 40984734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).