[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Formula:C22H25N3O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
MolecularFormula	C22H25N3O6S2
Smiles	NC(c1c(NC(COC(/C=C/c(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)=O)scc1)=O
InChI	InChI=1S/C22H25N3O6S2/c23-21(28)18-11-14-32-22(18)24-19(26)15-31-20(27)10-7-16-5-8-17(9-6-16)33(29,30)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13,15H2,(H2,23,28)(H,24,26)
InChIK	YKBSEULITQWJRC-UHFFFAOYSA-N
TotalMolweight	491.588
Molweight	491.588
MonoisotopicMass	491.118477
CLogP	2.3043
CLogS	-3.905
H Acceptors	9
H Donors	2
TotalSurfaceArea	360.39
Relative PSA	0.35611
PolarSurfaceArea	172.49
Druglikeness	0.034428
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	6
Amides	3
StereoCon

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1 - [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

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