2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide

Formula:C15H15N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide is a drug-like molecule.

MolName2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide
MolecularFormulaC15H15N3O2S2
SmilesO=C(CSCC(N/N=C\c1cccs1)=O)Nc1ccccc1
InChIInChI=1S/C15H15N3O2S2/c19-14(17-12-5-2-1-3-6-12)10-21-11-15(20)18-16-9-13-7-4-8-22-13/h1-9H,10-11H2,(H,17,19)(H,18,20)
InChIKPTHXBTZWCOEMOS-UHFFFAOYSA-N
TotalMolweight333.435
Molweight333.435
MonoisotopicMass333.060567
CLogP2.6567
CLogS-4.142
H Acceptors5
H Donors2
TotalSurfaceArea257.15
Relative PSA0.3825
PolarSurfaceArea124.1
Druglikeness6.4339
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72727
Fragments1
Non HAtoms22
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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