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C19H18N2O5S | Cheminformatics
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N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

Molecular Formula : C19H18N2O5S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide is a drug-like molecule.

MolName : N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide

MolecularFormula : C19H18N2O5S

Smiles : O=C(/C(/NC(c1cccs1)=O)=C/c(cc1)cc2c1OCO2)N1CCOCC1

InChI : InChI=1S/C19H18N2O5S/c22-18(17-2-1-9-27-17)20-14(19(23)21-5-7-24-8-6-21)10-13-3-4-15-16(11-13)26-12-25-15/h1-4,9-11H,5-8,12H2,(H,20,22)

InChIK : ZFDQQQVNPCYDOM-UHFFFAOYSA-N

TotalMolweight : 386.427

Molweight : 386.427

MonoisotopicMass : 386.093643

CLogP : 2.9286

CLogS : -3.792

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 282.73

Relative PSA : 0.32345

PolarSurfaceArea : 105.34

Druglikeness : 6.1667

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.44444

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

StereoCon :

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1 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
2 - N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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