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

C20H24N2O5S — CID 43955817

IUPACN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
SMILESCOCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3OC)ccc21
InChIInChI=1S/C20H24N2O5S/c1-26-13-20(23)22-11-5-7-15-12-17(9-10-18(15)22)21-28(24,25)14-16-6-3-4-8-19(16)27-2/h3-4,6,8-10,12,21H,5,7,11,13-14H2,1-2H3
InChIKeyVYDDUHMRNZJVFT-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.56
Rot. Bonds7

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

N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide (PubChem CID 43955817) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
PubChem CID43955817
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
SMILESCOCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3OC)ccc21
InChIInChI=1S/C20H24N2O5S/c1-26-13-20(23)22-11-5-7-15-12-17(9-10-18(15)22)21-28(24,25)14-16-6-3-4-8-19(16)27-2/h3-4,6,8-10,12,21H,5,7,11,13-14H2,1-2H3
InChIKeyVYDDUHMRNZJVFT-UHFFFAOYSA-N
XLogP2.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955739
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 43955729
1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955721
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695
N-[4-[[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]sulfamoyl]phenyl]butanamide
CID 43955789
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-4-(2-methylpropoxy)benzenesulfonamide
CID 43955801
4-fluoro-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16834722
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
CID 43955930
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
4-methoxy-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-3,5-dimethylbenzenesulfonamide
CID 43990298
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide (CID 43955817) is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide is COCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3ccccc3OC)ccc21.
What is the InChIKey of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide?
The InChIKey is VYDDUHMRNZJVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-26-13-20(23)22-11-5-7-15-12-17(9-10-18(15)22)21-28(24,25)14-16-6-3-4-8-19(16)27-2/h3-4,6,8-10,12,21H,5,7,11,13-14H2,1-2H3.
What are the key properties of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide?
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.56, 7 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]-1-(2-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 43955817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).