1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

C21H26N2O3S — CID 43955721

IUPAC1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21
InChIInChI=1S/C21H26N2O3S/c1-4-21(24)23-11-5-6-17-13-19(9-10-20(17)23)22-27(25,26)14-18-12-15(2)7-8-16(18)3/h7-10,12-13,22H,4-6,11,14H2,1-3H3
InChIKeyHLABMRQAILTFRU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (PubChem CID 43955721) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
PubChem CID43955721
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21
InChIInChI=1S/C21H26N2O3S/c1-4-21(24)23-11-5-6-17-13-19(9-10-20(17)23)22-27(25,26)14-18-12-15(2)7-8-16(18)3/h7-10,12-13,22H,4-6,11,14H2,1-3H3
InChIKeyHLABMRQAILTFRU-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 16834785
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
4-ethoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448407
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methoxyphenyl)methanesulfonamide
CID 43955817
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
1-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 20855824
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15995314
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1-(2-chlorophenyl)methanesulfonamide
CID 43955695

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (CID 43955721) is 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is CCC(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The InChIKey is HLABMRQAILTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-21(24)23-11-5-6-17-13-19(9-10-20(17)23)22-27(25,26)14-18-12-15(2)7-8-16(18)3/h7-10,12-13,22H,4-6,11,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 43955721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).