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

C27H29N3O4S — CID 18578116

IUPACN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cc(C)cc4C)cc32)cc1
InChIInChI=1S/C27H29N3O4S/c1-17-7-11-23(12-8-17)35(33,34)30-13-5-6-21-9-10-22(16-24(21)30)28-26(31)27(32)29-25-19(3)14-18(2)15-20(25)4/h7-12,14-16H,5-6,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyHYIOCNRSDUBCLK-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.64
Rot. Bonds4

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

N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide (PubChem CID 18578116) has the molecular formula C27H29N3O4S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
PubChem CID18578116
Molecular FormulaC27H29N3O4S
Molecular Weight491.61 g/mol
Exact Mass491.19
IUPAC NameN-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide
SMILESCc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cc(C)cc4C)cc32)cc1
InChIInChI=1S/C27H29N3O4S/c1-17-7-11-23(12-8-17)35(33,34)30-13-5-6-21-9-10-22(16-24(21)30)28-26(31)27(32)29-25-19(3)14-18(2)15-20(25)4/h7-12,14-16H,5-6,13H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyHYIOCNRSDUBCLK-UHFFFAOYSA-N
XLogP4.64
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.64
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'-(2,6-dimethylphenyl)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 43990420
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
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 18565156
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
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
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
methyl N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 16835393

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide?
The IUPAC name of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide (CID 18578116) is N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide?
The canonical SMILES for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide is Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)C(=O)Nc4c(C)cc(C)cc4C)cc32)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide?
The InChIKey is HYIOCNRSDUBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4S/c1-17-7-11-23(12-8-17)35(33,34)30-13-5-6-21-9-10-22(16-24(21)30)28-26(31)27(32)29-25-19(3)14-18(2)15-20(25)4/h7-12,14-16H,5-6,13H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide?
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide has a molecular weight of 491.61 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-N'-(2,4,6-trimethylphenyl)oxamide is sourced from PubChem (CID 18578116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).