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(E)-2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide

Molecular Formula : C20H16N4O6S2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
(E)-2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.

MolName : (E)-2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide

MolecularFormula : C20H16N4O6S2

Smiles : NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(cc2)ccc2S(N)(=O)=O)=O)\C#N)o1)(=O)=O

InChI : InChI=1S/C20H16N4O6S2/c21-12-14(20(25)24-15-3-8-18(9-4-15)32(23,28)29)11-16-5-10-19(30-16)13-1-6-17(7-2-13)31(22,26)27/h1-11H,(H,24,25)(H2,22,26,27)(H2,23,28,29)

InChIK : VQXXLCRMLNJLNR-UHFFFAOYSA-N

TotalMolweight : 472.501

Molweight : 472.501

MonoisotopicMass : 472.051126

CLogP : 1.4552

CLogS : -5.028

H Acceptors : 10

H Donors : 3

TotalSurfaceArea : 332.3

Relative PSA : 0.42091

PolarSurfaceArea : 203.11

Druglikeness : 2.1118

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.59375

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 2

Symmetricatoms : 6

Amides : 3

StereoCon :

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1 - (E)-2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
2 - (E)-2-cyano-N-(4-sulfamoylphenyl)-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
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