N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

C24H31N3O6S — CID 3241444

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (PubChem CID 3241444) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
• PubChem CID: 3241444
• Molecular Formula: C24H31N3O6S
• Molecular Weight: 489.59 g/mol
• Exact Mass: 489.19
• IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
• SMILES: CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCC
• InChI: InChI=1S/C24H31N3O6S/c1-4-32-21-10-6-17(14-22(21)33-5-2)12-13-25-24(29)16-27(3)34(30,31)19-8-9-20-18(15-19)7-11-23(28)26-20/h6,8-10,14-15H,4-5,7,11-13,16H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: YEGRLNPUYRCAGH-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.59
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide (CID 3241444) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide.

What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCC.

What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

The InChIKey is YEGRLNPUYRCAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-4-32-21-10-6-17(14-22(21)33-5-2)12-13-25-24(29)16-27(3)34(30,31)19-8-9-20-18(15-19)7-11-23(28)26-20/h6,8-10,14-15H,4-5,7,11-13,16H2,1-3H3,(H,25,29)(H,26,28).

What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide?

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide has a molecular weight of 489.59 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide is sourced from PubChem (CID 3241444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).