(E)-3-(4-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Formula:C20H21N2O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.

MolName(E)-3-(4-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
MolecularFormulaC20H21N2O3FS
SmilesO=C(/C=C/c(cc1)ccc1F)Nc(cc1)ccc1S(N1CCCCC1)(=O)=O
InChIInChI=1S/C20H21FN2O3S/c21-17-7-4-16(5-8-17)6-13-20(24)22-18-9-11-19(12-10-18)27(25,26)23-14-2-1-3-15-23/h4-13H,1-3,14-15H2,(H,22,24)
InChIKOJFVGAMHQZIZNB-UHFFFAOYSA-N
TotalMolweight388.462
Molweight388.462
MonoisotopicMass388.125691
CLogP3.4439
CLogS-3.907
H Acceptors5
H Donors1
TotalSurfaceArea289.26
Relative PSA0.19578
PolarSurfaceArea74.86
Druglikeness0.76145
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms7
Amides2
StereoCon

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