N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H25F3N2O4S — CID 55448495

IUPACN,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-3-26(4-2)32(29,30)19-11-12-20-16(14-19)6-5-13-27(20)21(28)15-31-18-9-7-17(8-10-18)22(23,24)25/h7-12,14H,3-6,13,15H2,1-2H3
InChIKeyVQGABLHVBNCSDV-UHFFFAOYSA-N
MW470.51 g/mol
LogP4.09
Rot. Bonds7

About N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55448495) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55448495
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC NameN,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O4S/c1-3-26(4-2)32(29,30)19-11-12-20-16(14-19)6-5-13-27(20)21(28)15-31-18-9-7-17(8-10-18)22(23,24)25/h7-12,14H,3-6,13,15H2,1-2H3
InChIKeyVQGABLHVBNCSDV-UHFFFAOYSA-N
XLogP4.09
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134030951

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55448495) is N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is VQGABLHVBNCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-3-26(4-2)32(29,30)19-11-12-20-16(14-19)6-5-13-27(20)21(28)15-31-18-9-7-17(8-10-18)22(23,24)25/h7-12,14H,3-6,13,15H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 470.51 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55448495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).