N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

C24H29N3O4S — CID 50794801

About N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (PubChem CID 50794801) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• PubChem CID: 50794801
• Molecular Formula: C24H29N3O4S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.19
• IUPAC Name: N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• SMILES: Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4C)ccc32)c1
• InChI: InChI=1S/C24H29N3O4S/c1-17-6-5-8-20(14-17)25-23(28)16-26-22-11-10-21(15-19(22)9-12-24(26)29)32(30,31)27-13-4-3-7-18(27)2/h5-6,8,10-11,14-15,18H,3-4,7,9,12-13,16H2,1-2H3,(H,25,28)
• InChIKey: WJJVONOVQWPYCD-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The IUPAC name of N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (CID 50794801) is N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

What is the SMILES notation for N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The canonical SMILES for N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCCC4C)ccc32)c1.

What is the InChIKey of N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The InChIKey is WJJVONOVQWPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17-6-5-8-20(14-17)25-23(28)16-26-22-11-10-21(15-19(22)9-12-24(26)29)32(30,31)27-13-4-3-7-18(27)2/h5-6,8,10-11,14-15,18H,3-4,7,9,12-13,16H2,1-2H3,(H,25,28).

What are the key properties of N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide has a molecular weight of 455.58 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is sourced from PubChem (CID 50794801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).