1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C20H23FN2O4S — CID 55435716

IUPAC1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCOc3ccccc3F)ccc21
InChIInChI=1S/C20H23FN2O4S/c1-15(24)23-11-5-6-16-14-17(9-10-19(16)23)28(25,26)22(2)12-13-27-20-8-4-3-7-18(20)21/h3-4,7-10,14H,5-6,11-13H2,1-2H3
InChIKeyWJOVEQKSXFDYBZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.82
Rot. Bonds6

About 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435716) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435716
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCOc3ccccc3F)ccc21
InChIInChI=1S/C20H23FN2O4S/c1-15(24)23-11-5-6-16-14-17(9-10-19(16)23)28(25,26)22(2)12-13-27-20-8-4-3-7-18(20)21/h3-4,7-10,14H,5-6,11-13H2,1-2H3
InChIKeyWJOVEQKSXFDYBZ-UHFFFAOYSA-N
XLogP2.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 39419247
1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819
N-[4-[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]phenyl]acetamide
CID 17465388
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
1-acetyl-N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 5299723
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435716) is 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCOc3ccccc3F)ccc21.
What is the InChIKey of 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is WJOVEQKSXFDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-15(24)23-11-5-6-16-14-17(9-10-19(16)23)28(25,26)22(2)12-13-27-20-8-4-3-7-18(20)21/h3-4,7-10,14H,5-6,11-13H2,1-2H3.
What are the key properties of 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).