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

C23H30N2O5S — CID 55435322

IUPAC1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCOc1ccccc1OCC(=O)N1CCCc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C23H30N2O5S/c1-4-24(5-2)31(27,28)19-13-14-20-18(16-19)10-9-15-25(20)23(26)17-30-22-12-8-7-11-21(22)29-6-3/h7-8,11-14,16H,4-6,9-10,15,17H2,1-3H3
InChIKeyIYOUSTJYHMBRID-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.47
Rot. Bonds9

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

1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55435322) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55435322
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCOc1ccccc1OCC(=O)N1CCCc2cc(S(=O)(=O)N(CC)CC)ccc21
InChIInChI=1S/C23H30N2O5S/c1-4-24(5-2)31(27,28)19-13-14-20-18(16-19)10-9-15-25(20)23(26)17-30-22-12-8-7-11-21(22)29-6-3/h7-8,11-14,16H,4-6,9-10,15,17H2,1-3H3
InChIKeyIYOUSTJYHMBRID-UHFFFAOYSA-N
XLogP3.47
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
N,N-diethyl-1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134031013
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
1-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]-3-phenylurea
CID 55435420
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
methyl 2-[3-[6-(diethylsulfamoyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetate
CID 55871968
2-ethoxy-N-[4-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]benzamide
CID 55873308

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55435322) is 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCOc1ccccc1OCC(=O)N1CCCc2cc(S(=O)(=O)N(CC)CC)ccc21.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is IYOUSTJYHMBRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-4-24(5-2)31(27,28)19-13-14-20-18(16-19)10-9-15-25(20)23(26)17-30-22-12-8-7-11-21(22)29-6-3/h7-8,11-14,16H,4-6,9-10,15,17H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55435322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).