2B3

4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide

Created:2013-08-13
Last modified:  2014-06-25

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count49
Aromatic Bond Count11
2D diagram of 2B3

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-(2-{[(propylsulfonyl)amino]methyl}-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
Systematic Name (OpenEye OEToolkits)4-[2-[(propylsulfonylamino)methyl]-1,3-thiazol-4-yl]-N-[3,3,3-tris(fluoranyl)propyl]benzamide
FormulaC17 H20 F3 N3 O3 S2
Molecular Weight435.484
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NCc1nc(cs1)c2ccc(C(=O)NCCC(F)(F)F)cc2)CCC
SMILESCACTVS3.385CCC[S](=O)(=O)NCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits1.7.6CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Canonical SMILESCACTVS3.385 CCC[S](=O)(=O)NCc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.6 CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
InChIInChI1.03 InChI=1S/C17H20F3N3O3S2/c1-2-9-28(25,26)22-10-15-23-14(11-27-15)12-3-5-13(6-4-12)16(24)21-8-7-17(18,19)20/h3-6,11,22H,2,7-10H2,1H3,(H,21,24)
InChIKeyInChI1.03 YJYLYLYZLFRVRC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73505035
ChEMBL CHEMBL3286508