N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

C23H32N4O5S2 — CID 10209260

About N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide

N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 10209260) has the molecular formula C23H32N4O5S2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
• PubChem CID: 10209260
• Molecular Formula: C23H32N4O5S2
• Molecular Weight: 508.67 g/mol
• Exact Mass: 508.18
• IUPAC Name: N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
• SMILES: CNS(=O)(=O)c1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccccc2S(=O)(=O)NC)c1
• InChI: InChI=1S/C23H32N4O5S2/c1-24-33(29,30)20-11-8-10-18(15-20)21(17-27-13-6-7-14-27)26(3)23(28)16-19-9-4-5-12-22(19)34(31,32)25-2/h4-5,8-12,15,21,24-25H,6-7,13-14,16-17H2,1-3H3
• InChIKey: ATHNNKDGLIVPMC-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 115.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.67
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?

The IUPAC name of N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide (CID 10209260) is N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide.

What is the SMILES notation for N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?

The canonical SMILES for N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is CNS(=O)(=O)c1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccccc2S(=O)(=O)NC)c1.

What is the InChIKey of N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?

The InChIKey is ATHNNKDGLIVPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S2/c1-24-33(29,30)20-11-8-10-18(15-20)21(17-27-13-6-7-14-27)26(3)23(28)16-19-9-4-5-12-22(19)34(31,32)25-2/h4-5,8-12,15,21,24-25H,6-7,13-14,16-17H2,1-3H3.

What are the key properties of N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide?

N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 508.67 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 10209260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).