C21H21N2O4ClS | Cheminformatics

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

Formula:C21H21N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is a drug-like molecule.

MolNameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
MolecularFormulaC21H21N2O4ClS
SmilesCc(cc(c(OC)c1)NC(CN(C)S(c2cc3ccccc3cc2)(=O)=O)=O)c1Cl
InChIInChI=1S/C21H21ClN2O4S/c1-14-10-19(20(28-3)12-18(14)22)23-21(25)13-24(2)29(26,27)17-9-8-15-6-4-5-7-16(15)11-17/h4-12H,13H2,1-3H3,(H,23,25)
InChIKZKFIIVJJGDZRRW-UHFFFAOYSA-N
TotalMolweight432.927
Molweight432.927
MonoisotopicMass432.091055
CLogP3.7449
CLogS-4.733
H Acceptors6
H Donors1
TotalSurfaceArea311.67
Relative PSA0.21378
PolarSurfaceArea84.09
Druglikeness3.1911
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms6
Symmetricatoms1
Amides2
StereoCon

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