5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide

C28H29N5O4S — CID 118695149

About 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide

5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide (PubChem CID 118695149) has the molecular formula C28H29N5O4S and a molecular weight of 531.64 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide
• PubChem CID: 118695149
• Molecular Formula: C28H29N5O4S
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.19
• IUPAC Name: 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide
• SMILES: Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3c3cccnc3)cc12
• InChI: InChI=1S/C28H29N5O4S/c1-18-14-27(34)31-24-10-8-20(15-22(18)24)30-28(35)23-16-21(38(36,37)32(2)3)9-11-26(23)33-13-5-7-25(33)19-6-4-12-29-17-19/h4,6,8-12,14-17,25H,5,7,13H2,1-3H3,(H,30,35)(H,31,34)
• InChIKey: MJILYVHPXIGXTF-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 115.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide?

The IUPAC name of 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide (CID 118695149) is 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide.

What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide?

The canonical SMILES for 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(S(=O)(=O)N(C)C)ccc3N3CCCC3c3cccnc3)cc12.

What is the InChIKey of 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide?

The InChIKey is MJILYVHPXIGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4S/c1-18-14-27(34)31-24-10-8-20(15-22(18)24)30-28(35)23-16-21(38(36,37)32(2)3)9-11-26(23)33-13-5-7-25(33)19-6-4-12-29-17-19/h4,6,8-12,14-17,25H,5,7,13H2,1-3H3,(H,30,35)(H,31,34).

What are the key properties of 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide?

5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide has a molecular weight of 531.64 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylsulfamoyl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 118695149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).