C18H23N3O3S2 | Cheminformatics

4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide

Formula:C18H23N3O3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide is a drug-like molecule.

MolName4-(diethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
MolecularFormulaC18H23N3O3S2
SmilesCCN(CC)S(c(cc1)ccc1C(Nc1nc(CCCC2)c2s1)=O)(=O)=O
InChIInChI=1S/C18H23N3O3S2/c1-3-21(4-2)26(23,24)14-11-9-13(10-12-14)17(22)20-18-19-15-7-5-6-8-16(15)25-18/h9-12H,3-8H2,1-2H3,(H,19,20,22)
InChIKWOLVLXHCJBPEKX-UHFFFAOYSA-N
TotalMolweight393.531
Molweight393.531
MonoisotopicMass393.118082
CLogP3.7566
CLogS-3.826
H Acceptors6
H Donors1
TotalSurfaceArea289.39
Relative PSA0.30395
PolarSurfaceArea115.99
Druglikeness0.20679
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! thiazol-2-ylamine
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms9
Symmetricatoms5
Amides2
Aromatic Nitrogens1
StereoCon

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