4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide

Formula:C23H22N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide is a drug-like molecule.

MolName4-[5-[(E)-3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide
MolecularFormulaC23H22N2O5S
SmilesNS(c(cc1)ccc1-c1ccc(/C=C/C(c(cc2)ccc2N2CCOCC2)=O)o1)(=O)=O
InChIInChI=1S/C23H22N2O5S/c24-31(27,28)21-9-3-18(4-10-21)23-12-8-20(30-23)7-11-22(26)17-1-5-19(6-2-17)25-13-15-29-16-14-25/h1-12H,13-16H2,(H2,24,27,28)
InChIKCSFZHAMBZRTEGA-UHFFFAOYSA-N
TotalMolweight438.503
Molweight438.503
MonoisotopicMass438.124943
CLogP2.6757
CLogS-5.302
H Acceptors7
H Donors1
TotalSurfaceArea325.66
Relative PSA0.25963
PolarSurfaceArea111.22
Druglikeness5.3423
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64516
Fragments1
Non HAtoms31
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms6
Symmetricatoms7
Amides1
Amines1
Aromatic Amines1
StereoCon

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