N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide

Formula:C22H18N4O6S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide is not a drug-like molecule.

MolNameN-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-4-(thiophen-2-ylsulfonylamino)benzamide
MolecularFormulaC22H18N4O6S3
SmilesNS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cc2)ccc2NS(c2cccs2)(=O)=O)=O)o1)(=O)=O
InChIInChI=1S/C22H18N4O6S3/c23-34(28,29)19-10-5-15(6-11-19)20-12-9-18(32-20)14-24-25-22(27)16-3-7-17(8-4-16)26-35(30,31)21-2-1-13-33-21/h1-14,26H,(H,25,27)(H2,23,28,29)
InChIKNGACQIZLRBEAIO-UHFFFAOYSA-N
TotalMolweight530.605
Molweight530.605
MonoisotopicMass530.038846
CLogP3.1927
CLogS-6.33
H Acceptors10
H Donors3
TotalSurfaceArea369.28
Relative PSA0.41803
PolarSurfaceArea205.93
Druglikeness9.5417
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.62857
Fragments1
Non HAtoms35
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms6
Amides2
StereoCon

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