2-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C21H22N2O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C21H22N2O3Cl2S
Smiles	O=C(c1c(NC(c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCC2)NC[C@@H]1OCCC1
InChI	InChI=1S/C21H22Cl2N2O3S/c22-12-7-8-14(16(23)10-12)19(26)25-21-18(15-5-1-2-6-17(15)29-21)20(27)24-11-13-4-3-9-28-13/h7-8,10,13H,1-6,9,11H2,(H,24,27)(H,25,26)/t13-/m1/s1
InChIK	MLDDBVHAKFHWPP-CYBMUJFWSA-N
TotalMolweight	453.389
Molweight	453.389
MonoisotopicMass	452.072817
CLogP	4.9707
CLogS	-6.542
H Acceptors	5
H Donors	2
TotalSurfaceArea	323.8
Relative PSA	0.24509
PolarSurfaceArea	95.67
Druglikeness	-1.0241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	10
Amides	2
StereoCon	this enantiomer

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1 - 2-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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