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

Formula:C23H20N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-3-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-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C23H20N4O2S
Smiles	O=C(/C(/NC(c1cccs1)=O)=C\c1cnccc1)NCCc1c[nH]c2c1cccc2
InChI	InChI=1S/C23H20N4O2S/c28-22(25-11-9-17-15-26-19-7-2-1-6-18(17)19)20(13-16-5-3-10-24-14-16)27-23(29)21-8-4-12-30-21/h1-8,10,12-15,26H,9,11H2,(H,25,28)(H,27,29)
InChIK	QWCRMJLHUVVCDR-UHFFFAOYSA-N
TotalMolweight	416.504
Molweight	416.504
MonoisotopicMass	416.130696
CLogP	3.4684
CLogS	-4.541
H Acceptors	6
H Donors	3
TotalSurfaceArea	322.3
Relative PSA	0.29265
PolarSurfaceArea	115.12
Druglikeness	5.4567
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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