C22H27N2O5FS | Cheminformatics

2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide

Formula:C22H27N2O5FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide is a drug-like molecule.

MolName2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
MolecularFormulaC22H27N2O5FS
SmilesCOc(ccc(S(N(CC(Nc(cc1)ccc1F)=O)C1CCCCC1)(=O)=O)c1)c1OC
InChIInChI=1S/C22H27FN2O5S/c1-29-20-13-12-19(14-21(20)30-2)31(27,28)25(18-6-4-3-5-7-18)15-22(26)24-17-10-8-16(23)9-11-17/h8-14,18H,3-7,15H2,1-2H3,(H,24,26)
InChIKXBWFVVUTQRLKCA-UHFFFAOYSA-N
TotalMolweight450.529
Molweight450.529
MonoisotopicMass450.162471
CLogP3.1871
CLogS-3.953
H Acceptors7
H Donors1
TotalSurfaceArea333.54
Relative PSA0.22975
PolarSurfaceArea93.32
Druglikeness-4.8514
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms12
Symmetricatoms5
Amides2
StereoCon

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