N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide

C26H27N3O4S — CID 43990420

IUPACN'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cccc4C)cc32)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-9-13-22(14-10-17)34(32,33)29-15-5-8-20-11-12-21(16-23(20)29)27-25(30)26(31)28-24-18(2)6-4-7-19(24)3/h4,6-7,9-14,16H,5,8,15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyWEGMQBWRIKYUIC-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.33
Rot. Bonds4

About N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide

N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide (PubChem CID 43990420) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
PubChem CID43990420
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cccc4C)cc32)cc1
InChIInChI=1S/C26H27N3O4S/c1-17-9-13-22(14-10-17)34(32,33)29-15-5-8-20-11-12-21(16-23(20)29)27-25(30)26(31)28-24-18(2)6-4-7-19(24)3/h4,6-7,9-14,16H,5,8,15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyWEGMQBWRIKYUIC-UHFFFAOYSA-N
XLogP4.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 18578116
N'-(3-fluoro-4-methylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 18578114
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
3-chloro-2,2-dimethyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7517776
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
2-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990514
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methylbenzamide
CID 7517742
1-(3-chloro-4-methylphenyl)-3-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-6-yl]urea
CID 46386031
3,4-diethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 27655748
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-chloro-2,2-dimethylpropanamide
CID 7517769

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide (CID 43990420) is N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide is Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cccc4C)cc32)cc1.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The InChIKey is WEGMQBWRIKYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-17-9-13-22(14-10-17)34(32,33)29-15-5-8-20-11-12-21(16-23(20)29)27-25(30)26(31)28-24-18(2)6-4-7-19(24)3/h4,6-7,9-14,16H,5,8,15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide?
N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide has a molecular weight of 477.59 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide is sourced from PubChem (CID 43990420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).