1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C21H28N6O4S — CID 108787379

About 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108787379) has the molecular formula C21H28N6O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 108787379
• Molecular Formula: C21H28N6O4S
• Molecular Weight: 460.56 g/mol
• Exact Mass: 460.19
• IUPAC Name: 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(CCCN(C)C)C3)cc2)n1
• InChI: InChI=1S/C21H28N6O4S/c1-15-9-10-22-21(23-15)25-32(30,31)18-7-5-17(6-8-18)24-20(29)16-13-19(28)27(14-16)12-4-11-26(2)3/h5-10,16H,4,11-14H2,1-3H3,(H,24,29)(H,22,23,25)
• InChIKey: QIDOIVUYNDWJOG-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 124.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.56
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 108787379) is 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(CCCN(C)C)C3)cc2)n1.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is QIDOIVUYNDWJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O4S/c1-15-9-10-22-21(23-15)25-32(30,31)18-7-5-17(6-8-18)24-20(29)16-13-19(28)27(14-16)12-4-11-26(2)3/h5-10,16H,4,11-14H2,1-3H3,(H,24,29)(H,22,23,25).

What are the key properties of 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108787379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).