1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide

C29H32N4O6S — CID 4834845

About 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4834845) has the molecular formula C29H32N4O6S and a molecular weight of 564.66 g/mol. Its IUPAC name is 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 4834845
• Molecular Formula: C29H32N4O6S
• Molecular Weight: 564.66 g/mol
• Exact Mass: 564.20
• IUPAC Name: 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)ccc1N1CCOCC1
• InChI: InChI=1S/C29H32N4O6S/c1-38-26-10-6-5-9-24(26)31-40(36,37)27-18-23(11-12-25(27)32-13-15-39-16-14-32)30-29(35)22-17-28(34)33(20-22)19-21-7-3-2-4-8-21/h2-12,18,22,31H,13-17,19-20H2,1H3,(H,30,35)
• InChIKey: ONVQSIQKXTYFEQ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.66
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 4834845) is 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)ccc1N1CCOCC1.

What is the InChIKey of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is ONVQSIQKXTYFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O6S/c1-38-26-10-6-5-9-24(26)31-40(36,37)27-18-23(11-12-25(27)32-13-15-39-16-14-32)30-29(35)22-17-28(34)33(20-22)19-21-7-3-2-4-8-21/h2-12,18,22,31H,13-17,19-20H2,1H3,(H,30,35).

What are the key properties of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide?

1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 564.66 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4834845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).