1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C25H30N4O4S — CID 50745077

About 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 50745077) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
• PubChem CID: 50745077
• Molecular Formula: C25H30N4O4S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.20
• IUPAC Name: 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
• SMILES: CCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)cc1
• InChI: InChI=1S/C25H30N4O4S/c1-3-11-27-34(32,33)21-7-5-20(6-8-21)28-25(31)19-14-24(30)29(16-19)12-10-18-15-26-23-9-4-17(2)13-22(18)23/h4-9,13,15,19,26-27H,3,10-12,14,16H2,1-2H3,(H,28,31)
• InChIKey: GANUEPKOUXVSBM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 111.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 50745077) is 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(CCc3c[nH]c4ccc(C)cc34)C2)cc1.

What is the InChIKey of 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?

The InChIKey is GANUEPKOUXVSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-3-11-27-34(32,33)21-7-5-20(6-8-21)28-25(31)19-14-24(30)29(16-19)12-10-18-15-26-23-9-4-17(2)13-22(18)23/h4-9,13,15,19,26-27H,3,10-12,14,16H2,1-2H3,(H,28,31).

What are the key properties of 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 50745077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).