N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide

C20H23FN2O3S — CID 110623309

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)CCc3cccc(F)c3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-2-27(25,26)23-12-4-6-16-14-18(9-10-19(16)23)22-20(24)11-8-15-5-3-7-17(21)13-15/h3,5,7,9-10,13-14H,2,4,6,8,11-12H2,1H3,(H,22,24)
InChIKeyHKUDLKSXPHZHDK-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.50
Rot. Bonds6

About N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide (PubChem CID 110623309) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
PubChem CID110623309
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NC(=O)CCc3cccc(F)c3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-2-27(25,26)23-12-4-6-16-14-18(9-10-19(16)23)22-20(24)11-8-15-5-3-7-17(21)13-15/h3,5,7,9-10,13-14H,2,4,6,8,11-12H2,1H3,(H,22,24)
InChIKeyHKUDLKSXPHZHDK-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
3-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 78888521
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-pyridin-3-ylbutanamide
CID 110623293
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide (CID 110623309) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide is CCS(=O)(=O)N1CCCc2cc(NC(=O)CCc3cccc(F)c3)ccc21.
What is the InChIKey of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide?
The InChIKey is HKUDLKSXPHZHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-2-27(25,26)23-12-4-6-16-14-18(9-10-19(16)23)22-20(24)11-8-15-5-3-7-17(21)13-15/h3,5,7,9-10,13-14H,2,4,6,8,11-12H2,1H3,(H,22,24).
What are the key properties of N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide?
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide has a molecular weight of 390.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110623309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).