5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide

C20H28N2O4S — CID 17439024

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC3CCCCC32)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H28N2O4S/c1-26-18-11-8-15(13-19(18)27(24,25)21-16-9-10-16)20(23)22-12-4-6-14-5-2-3-7-17(14)22/h8,11,13-14,16-17,21H,2-7,9-10,12H2,1H3
InChIKeyUILBRAWJRAXLKW-UHFFFAOYSA-N
MW392.52 g/mol
LogP2.93
Rot. Bonds5

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide (PubChem CID 17439024) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
PubChem CID17439024
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC3CCCCC32)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H28N2O4S/c1-26-18-11-8-15(13-19(18)27(24,25)21-16-9-10-16)20(23)22-12-4-6-14-5-2-3-7-17(14)22/h8,11,13-14,16-17,21H,2-7,9-10,12H2,1H3
InChIKeyUILBRAWJRAXLKW-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide with MolForge

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide
CID 119467121
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 42045896
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 124727033
N-cyclopentyl-5-(2,3-dimethylpiperazine-1-carbonyl)-2-methoxybenzenesulfonamide
CID 120572231
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
N-cyclopropyl-2-methoxy-5-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949909
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-N-methoxybenzenesulfonamide
CID 97195759
5-[4-(1-aminoethyl)piperidine-1-carbonyl]-N-cyclopropyl-2-methoxybenzenesulfonamide;hydrochloride
CID 119519103
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-amino-4-methoxyphenyl)methanone
CID 82747080

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide (CID 17439024) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide is COc1ccc(C(=O)N2CCCC3CCCCC32)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
The InChIKey is UILBRAWJRAXLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-26-18-11-8-15(13-19(18)27(24,25)21-16-9-10-16)20(23)22-12-4-6-14-5-2-3-7-17(14)22/h8,11,13-14,16-17,21H,2-7,9-10,12H2,1H3.
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide has a molecular weight of 392.52 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-N-cyclopropyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 17439024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).