N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide

C22H28N2O5S — CID 43955801

IUPACN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCOCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)ccc21
InChIInChI=1S/C22H28N2O5S/c1-16(2)14-29-19-7-9-20(10-8-19)30(26,27)23-18-6-11-21-17(13-18)5-4-12-24(21)22(25)15-28-3/h6-11,13,16,23H,4-5,12,14-15H2,1-3H3
InChIKeyNUIQQQAUZZCMRY-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.45
Rot. Bonds8

About N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide

N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 43955801) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID43955801
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
SMILESCOCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)ccc21
InChIInChI=1S/C22H28N2O5S/c1-16(2)14-29-19-7-9-20(10-8-19)30(26,27)23-18-6-11-21-17(13-18)5-4-12-24(21)22(25)15-28-3/h6-11,13,16,23H,4-5,12,14-15H2,1-3H3
InChIKeyNUIQQQAUZZCMRY-UHFFFAOYSA-N
XLogP3.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide with MolForge

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Related Compounds

4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
4-ethoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990274
N-[4-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfamoyl]phenyl]butanamide
CID 43955789
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
4-(2-methylpropoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16943864
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)-4-propan-2-yloxybenzenesulfonamide
CID 154934520
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
4-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 110729178
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
CID 43955817
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide (CID 43955801) is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide is COCC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)ccc21.
What is the InChIKey of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is NUIQQQAUZZCMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16(2)14-29-19-7-9-20(10-8-19)30(26,27)23-18-6-11-21-17(13-18)5-4-12-24(21)22(25)15-28-3/h6-11,13,16,23H,4-5,12,14-15H2,1-3H3.
What are the key properties of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide?
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 432.54 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 43955801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).