N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

C23H29N3O5S — CID 93059020

About N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (PubChem CID 93059020) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• PubChem CID: 93059020
• Molecular Formula: C23H29N3O5S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.18
• IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide
• SMILES: Cc1ccc(CNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)o1
• InChI: InChI=1S/C23H29N3O5S/c1-16-5-3-4-12-26(16)32(29,30)20-9-10-21-18(13-20)7-11-23(28)25(21)15-22(27)24-14-19-8-6-17(2)31-19/h6,8-10,13,16H,3-5,7,11-12,14-15H2,1-2H3,(H,24,27)/t16-/m0/s1
• InChIKey: JNLDCBFHRPMBAB-INIZCTEOSA-N
• XLogP: 2.75
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide (CID 93059020) is N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide.

What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is Cc1ccc(CNC(=O)CN2C(=O)CCc3cc(S(=O)(=O)N4CCCC[C@@H]4C)ccc32)o1.

What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

The InChIKey is JNLDCBFHRPMBAB-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-16-5-3-4-12-26(16)32(29,30)20-9-10-21-18(13-20)7-11-23(28)25(21)15-22(27)24-14-19-8-6-17(2)31-19/h6,8-10,13,16H,3-5,7,11-12,14-15H2,1-2H3,(H,24,27)/t16-/m0/s1.

What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide?

N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide has a molecular weight of 459.57 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-methylfuran-2-yl)methyl]-2-[6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-3,4-dihydroquinolin-1-yl]acetamide is sourced from PubChem (CID 93059020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).