1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid

C24H29N5O6S — CID 67280994

About 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid

1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid (PubChem CID 67280994) has the molecular formula C24H29N5O6S and a molecular weight of 515.59 g/mol. Its IUPAC name is 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid
• PubChem CID: 67280994
• Molecular Formula: C24H29N5O6S
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.18
• IUPAC Name: 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid
• SMILES: Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21
• InChI: InChI=1S/C24H29N5O6S/c1-13-19(29(14(2)20(13)24(32)33)23(21(25)30)28-9-5-6-10-28)12-17-16-11-15(36(34,35)27(3)4)7-8-18(16)26-22(17)31/h7-8,11-12,23H,5-6,9-10H2,1-4H3,(H2,25,30)(H,26,31)(H,32,33)
• InChIKey: FDCZWXCILKFFJO-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 155.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid?

The IUPAC name of 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid (CID 67280994) is 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid.

What is the SMILES notation for 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid?

The canonical SMILES for 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)c(C)n(C(C(N)=O)N2CCCC2)c1C=C1C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc21.

What is the InChIKey of 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid?

The InChIKey is FDCZWXCILKFFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O6S/c1-13-19(29(14(2)20(13)24(32)33)23(21(25)30)28-9-5-6-10-28)12-17-16-11-15(36(34,35)27(3)4)7-8-18(16)26-22(17)31/h7-8,11-12,23H,5-6,9-10H2,1-4H3,(H2,25,30)(H,26,31)(H,32,33).

What are the key properties of 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid?

1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid has a molecular weight of 515.59 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-amino-2-oxo-1-pyrrolidin-1-ylethyl)-5-[[5-(dimethylsulfamoyl)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethylpyrrole-3-carboxylic acid is sourced from PubChem (CID 67280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).