2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C23H20N4O5S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C23H20N4O5S2
Smiles	NC(c1c(NC(/C(/C#N)=C/c2ccc(-c(cc3)ccc3S(N)(=O)=O)o2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C23H20N4O5S2/c24-12-14(22(29)27-23-20(21(25)28)17-3-1-2-4-19(17)33-23)11-15-7-10-18(32-15)13-5-8-16(9-6-13)34(26,30)31/h5-11H,1-4H2,(H2,25,28)(H,27,29)(H2,26,30,31)
InChIK	MKAODSZBQIVNOV-UHFFFAOYSA-N
TotalMolweight	496.567
Molweight	496.567
MonoisotopicMass	496.087511
CLogP	2.9915
CLogS	-6.47
H Acceptors	9
H Donors	3
TotalSurfaceArea	358.95
Relative PSA	0.40309
PolarSurfaceArea	205.9
Druglikeness	-2.092
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	3
Amides	3
StereoCon

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1 - 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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