C22H21N2O4ClS | Cheminformatics

2-[N-(benzenesulfonyl)-2-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide

Formula:C22H21N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide is a drug-like molecule.

MolName2-[N-(benzenesulfonyl)-2-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide
MolecularFormulaC22H21N2O4ClS
SmilesCc(cccc1)c1N(CC(Nc(cc(cc1)Cl)c1OC)=O)S(c1ccccc1)(=O)=O
InChIInChI=1S/C22H21ClN2O4S/c1-16-8-6-7-11-20(16)25(30(27,28)18-9-4-3-5-10-18)15-22(26)24-19-14-17(23)12-13-21(19)29-2/h3-14H,15H2,1-2H3,(H,24,26)
InChIKMECPYIPMBSCVPU-UHFFFAOYSA-N
TotalMolweight444.938
Molweight444.938
MonoisotopicMass444.091055
CLogP3.5362
CLogS-5.431
H Acceptors6
H Donors1
TotalSurfaceArea324.57
Relative PSA0.20529
PolarSurfaceArea84.09
Druglikeness-1.8994
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.43333
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms3
Amides2
StereoCon

Request More Details | 2-[N-(benzenesulfonyl)-2-methylanilino]-N-(5-chloro-2-methoxyphenyl)acetamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments