N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C22H19N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C22H19N3O2S2
Smiles	O=C(/C(/NC(c1cccs1)=O)=C\c1cccs1)NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C22H19N3O2S2/c26-21(23-10-9-15-14-24-18-7-2-1-6-17(15)18)19(13-16-5-3-11-28-16)25-22(27)20-8-4-12-29-20/h1-8,11-14,24H,9-10H2,(H,23,26)(H,25,27)
InChIK	CDEPLPBNXNTWOD-UHFFFAOYSA-N
TotalMolweight	421.544
Molweight	421.544
MonoisotopicMass	421.091867
CLogP	4.3359
CLogS	-5.346
H Acceptors	5
H Donors	3
TotalSurfaceArea	319.48
Relative PSA	0.32462
PolarSurfaceArea	130.47
Druglikeness	5.4567
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	1
StereoCon

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1 - N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide | 2 - N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]thiophene-2-carboxamide

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