N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide

C20H23FN2O3S — CID 110609311

IUPACN-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
SMILESCC1Cc2ccccc2N(C(=O)C(C)CS(=O)(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O3S/c1-14-10-16-6-3-4-9-19(16)23(12-14)20(24)15(2)13-27(25,26)22-18-8-5-7-17(21)11-18/h3-9,11,14-15,22H,10,12-13H2,1-2H3
InChIKeyZZUYIPKRNVZSEG-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.43
Rot. Bonds5

About N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide

N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide (PubChem CID 110609311) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
PubChem CID110609311
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
SMILESCC1Cc2ccccc2N(C(=O)C(C)CS(=O)(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C20H23FN2O3S/c1-14-10-16-6-3-4-9-19(16)23(12-14)20(24)15(2)13-27(25,26)22-18-8-5-7-17(21)11-18/h3-9,11,14-15,22H,10,12-13H2,1-2H3
InChIKeyZZUYIPKRNVZSEG-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 63522833
2-(methylamino)-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 63522299
(2R)-2-amino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one;hydrochloride
CID 119319569
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
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3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
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3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110634102
2-anilino-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119776726
(2R)-2-amino-3,3-dimethyl-1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 103929918
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
N-tert-butyl-3-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide (CID 110609311) is N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide is CC1Cc2ccccc2N(C(=O)C(C)CS(=O)(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide?
The InChIKey is ZZUYIPKRNVZSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-14-10-16-6-3-4-9-19(16)23(12-14)20(24)15(2)13-27(25,26)22-18-8-5-7-17(21)11-18/h3-9,11,14-15,22H,10,12-13H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide?
N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide has a molecular weight of 390.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide is sourced from PubChem (CID 110609311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).