(2E,4E)-5-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]penta-2,4-dienamide

Formula:C21H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-5-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]penta-2,4-dienamide is a drug-like molecule.

MolName	(2E,4E)-5-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]penta-2,4-dienamide
MolecularFormula	C21H18N4O3S
Smiles	O=C(/C=C/C=C/c1ccccc1)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O
InChI	InChI=1S/C21H18N4O3S/c26-20(10-5-4-9-17-7-2-1-3-8-17)24-18-11-13-19(14-12-18)29(27,28)25-21-22-15-6-16-23-21/h1-16H,(H,24,26)(H,22,23,25)
InChIK	IQFAPIAUNLKHRS-UHFFFAOYSA-N
TotalMolweight	406.465
Molweight	406.465
MonoisotopicMass	406.109961
CLogP	2.8983
CLogS	-4.41
H Acceptors	7
H Donors	2
TotalSurfaceArea	312.55
Relative PSA	0.27669
PolarSurfaceArea	109.43
Druglikeness	-1.1545
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	7
Amides	2
Aromatic Nitrogens	2
StereoCon

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