ethyl 2-[(2,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

Formula:C20H22N2O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl 2-[(2,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate is not a drug-like molecule.

MolName	ethyl 2-[(2,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
MolecularFormula	C20H22N2O4Cl2S
Smiles	CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(ccc(Cl)c2)c2Cl)=O)s1)=O
InChI	InChI=1S/C20H22Cl2N2O4S/c1-5-24(6-2)19(26)16-11(4)15(20(27)28-7-3)18(29-16)23-17(25)13-9-8-12(21)10-14(13)22/h8-10H,5-7H2,1-4H3,(H,23,25)
InChIK	CUOXDHYYSKIVGS-UHFFFAOYSA-N
TotalMolweight	457.377
Molweight	457.377
MonoisotopicMass	456.067732
CLogP	5.2564
CLogS	-5.788
H Acceptors	6
H Donors	1
TotalSurfaceArea	335.13
Relative PSA	0.25211
PolarSurfaceArea	103.95
Druglikeness	2.5816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

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1 - ethyl 2-[(2,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate | 2 - ethyl 2-[(2,4-dichlorobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

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