N-[(Z)-3-oxo-1-pyridin-4-yl-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide

Formula:C21H18N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-oxo-1-pyridin-4-yl-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolNameN-[(Z)-3-oxo-1-pyridin-4-yl-3-(4-sulfamoylanilino)prop-1-en-2-yl]benzamide
MolecularFormulaC21H18N4O4S
SmilesNS(c(cc1)ccc1NC(/C(/NC(c1ccccc1)=O)=C/c1ccncc1)=O)(=O)=O
InChIInChI=1S/C21H18N4O4S/c22-30(28,29)18-8-6-17(7-9-18)24-21(27)19(14-15-10-12-23-13-11-15)25-20(26)16-4-2-1-3-5-16/h1-14H,(H,24,27)(H,25,26)(H2,22,28,29)
InChIKIKEPGCCGEXYIGA-UHFFFAOYSA-N
TotalMolweight422.464
Molweight422.464
MonoisotopicMass422.104876
CLogP2.1869
CLogS-3.977
H Acceptors8
H Donors3
TotalSurfaceArea311.77
Relative PSA0.333
PolarSurfaceArea139.63
Druglikeness5.5011
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms7
Amides3
Aromatic Nitrogens1
StereoCon

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