N-[(2-methylphenyl)methyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

Formula:C22H21N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2-methylphenyl)methyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is a drug-like molecule.

MolName	N-[(2-methylphenyl)methyl]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
MolecularFormula	C22H21N3O5S
Smiles	Cc1c(CNC(CN(c2ccccc2)S(c(cccc2)c2[N+]([O-])=O)(=O)=O)=O)cccc1
InChI	InChI=1S/C22H21N3O5S/c1-17-9-5-6-10-18(17)15-23-22(26)16-24(19-11-3-2-4-12-19)31(29,30)21-14-8-7-13-20(21)25(27)28/h2-14H,15-16H2,1H3,(H,23,26)
InChIK	DOBUWCIGZDBKAM-UHFFFAOYSA-N
TotalMolweight	439.491
Molweight	439.491
MonoisotopicMass	439.120192
CLogP	1.788
CLogS	-4.953
H Acceptors	8
H Donors	1
TotalSurfaceArea	324.32
Relative PSA	0.26841
PolarSurfaceArea	120.68
Druglikeness	-2.8506
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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