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

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

MolNameN-[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
MolecularFormulaC22H18N4O6S3
SmilesNS(c(cc1)ccc1-c1ccc(/C=N\NC(c(cccc2)c2NS(c2cccs2)(=O)=O)=O)o1)(=O)=O
InChIInChI=1S/C22H18N4O6S3/c23-34(28,29)17-10-7-15(8-11-17)20-12-9-16(32-20)14-24-25-22(27)18-4-1-2-5-19(18)26-35(30,31)21-6-3-13-33-21/h1-14,26H,(H,25,27)(H2,23,28,29)
InChIKVRAIBKIUQOWQLZ-UHFFFAOYSA-N
TotalMolweight530.605
Molweight530.605
MonoisotopicMass530.038846
CLogP3.1927
CLogS-6.33
H Acceptors10
H Donors3
TotalSurfaceArea369.28
Relative PSA0.41803
PolarSurfaceArea205.93
Druglikeness9.45
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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