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

C25H31N3O4S — CID 93059040

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

N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (PubChem CID 93059040) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• PubChem CID: 93059040
• Molecular Formula: C25H31N3O4S
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.20
• IUPAC Name: N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• SMILES: Cc1cccc(CNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c1
• InChI: InChI=1S/C25H31N3O4S/c1-18-6-5-8-20(14-18)16-26-24(29)17-27-23-11-10-22(15-21(23)9-12-25(27)30)33(31,32)28-13-4-3-7-19(28)2/h5-6,8,10-11,14-15,19H,3-4,7,9,12-13,16-17H2,1-2H3,(H,26,29)/t19-/m0/s1
• InChIKey: HUSUVXLJVRXFAO-IBGZPJMESA-N
• XLogP: 3.15
• TPSA: 86.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (CID 93059040) is N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

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

The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is Cc1cccc(CNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)c1.

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

The InChIKey is HUSUVXLJVRXFAO-IBGZPJMESA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-18-6-5-8-20(14-18)16-26-24(29)17-27-23-11-10-22(15-21(23)9-12-25(27)30)33(31,32)28-13-4-3-7-19(28)2/h5-6,8,10-11,14-15,19H,3-4,7,9,12-13,16-17H2,1-2H3,(H,26,29)/t19-/m0/s1.

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

N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide has a molecular weight of 469.61 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methylphenyl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is sourced from PubChem (CID 93059040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).