(E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Formula:C27H27N3O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
MolecularFormula	C27H27N3O5S2
Smiles	O=C(/C=C/c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)Nc(cc1)ccc1S(N1CCCC1)(=O)=O
InChI	InChI=1S/C27H27N3O5S2/c31-27(28-23-10-14-24(15-11-23)36(32,33)29-18-3-4-19-29)16-9-21-7-12-25(13-8-21)37(34,35)30-20-17-22-5-1-2-6-26(22)30/h1-2,5-16H,3-4,17-20H2,(H,28,31)
InChIK	GJPLZQXMOKQWNA-UHFFFAOYSA-N
TotalMolweight	537.659
Molweight	537.659
MonoisotopicMass	537.139212
CLogP	3.6177
CLogS	-5.115
H Acceptors	8
H Donors	1
TotalSurfaceArea	381.81
Relative PSA	0.23247
PolarSurfaceArea	120.62
Druglikeness	4.3467
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59459
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	8
Amides	3
StereoCon

Click to Load Molecule:

1 - (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide | 2 - (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

Request More Details | (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments