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

C21H28N2O4S2 — CID 43955953

IUPAC1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21
InChIInChI=1S/C21H28N2O4S2/c1-4-12-29(26,27)23-11-5-6-18-14-20(9-10-21(18)23)22-28(24,25)15-19-13-16(2)7-8-17(19)3/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3
InChIKeyYENHJPKSTKKELA-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.74
Rot. Bonds7

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

1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (PubChem CID 43955953) has the molecular formula C21H28N2O4S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
PubChem CID43955953
Molecular FormulaC21H28N2O4S2
Molecular Weight436.60 g/mol
Exact Mass436.15
IUPAC Name1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21
InChIInChI=1S/C21H28N2O4S2/c1-4-12-29(26,27)23-11-5-6-18-14-20(9-10-21(18)23)22-28(24,25)15-19-13-16(2)7-8-17(19)3/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3
InChIKeyYENHJPKSTKKELA-UHFFFAOYSA-N
XLogP3.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955956
1-(2,5-dimethylphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955721
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
2,3,5,6-tetramethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27368931
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1-naphthalen-1-ylmethanesulfonamide
CID 43955982
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 112506000
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
CID 42448641
1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (CID 43955953) is 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is CCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)Cc3cc(C)ccc3C)ccc21.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The InChIKey is YENHJPKSTKKELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S2/c1-4-12-29(26,27)23-11-5-6-18-14-20(9-10-21(18)23)22-28(24,25)15-19-13-16(2)7-8-17(19)3/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide has a molecular weight of 436.60 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 43955953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).