N-[(E)-3-(2-morpholin-4-ylethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Formula:C20H22N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(2-morpholin-4-ylethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(E)-3-(2-morpholin-4-ylethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
MolecularFormula	C20H22N4O5S
Smiles	[O-][N+](c1cccc(/C=C(\C(NCCN2CCOCC2)=O)/NC(c2cccs2)=O)c1)=O
InChI	InChI=1S/C20H22N4O5S/c25-19(21-6-7-23-8-10-29-11-9-23)17(22-20(26)18-5-2-12-30-18)14-15-3-1-4-16(13-15)24(27)28/h1-5,12-14H,6-11H2,(H,21,25)(H,22,26)
InChIK	BJZAZIKQYNLGDZ-UHFFFAOYSA-N
TotalMolweight	430.484
Molweight	430.484
MonoisotopicMass	430.131091
CLogP	0.4024
CLogS	-3.326
H Acceptors	9
H Donors	2
TotalSurfaceArea	325.12
Relative PSA	0.34858
PolarSurfaceArea	144.73
Druglikeness	1.5789
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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