(E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide

Formula:C14H14N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide is a drug-like molecule.

MolName(E)-N,N'-bis(thiophen-2-ylmethyl)but-2-enediamide
MolecularFormulaC14H14N2O2S2
SmilesO=C(/C=C/C(NCc1cccs1)=O)NCc1cccs1
InChIInChI=1S/C14H14N2O2S2/c17-13(15-9-11-3-1-7-19-11)5-6-14(18)16-10-12-4-2-8-20-12/h1-8H,9-10H2,(H,15,17)(H,16,18)
InChIKMMLGFXAGMNKILW-UHFFFAOYSA-N
TotalMolweight306.409
Molweight306.409
MonoisotopicMass306.049668
CLogP1.558
CLogS-2.896
H Acceptors4
H Donors2
TotalSurfaceArea237.34
Relative PSA0.37802
PolarSurfaceArea114.68
Druglikeness2.1816
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.7
Fragments1
Non HAtoms20
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
Sp3Atoms2
Symmetricatoms10
Amides2
StereoCon

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