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326866-17-5 | 4-PiperidinecarboxaMide, N-[4-(6-Methyl-2-benzothiazolyl)phenyl]-1-(2-thienylsulfonyl)-
CAS No: 326866-17-5 Catalog No: AG00C6FI MDL No:MFCD02167759
Product Description
Catalog Number:
AG00C6FI
Chemical Name:
4-PiperidinecarboxaMide, N-[4-(6-Methyl-2-benzothiazolyl)phenyl]-1-(2-thienylsulfonyl)-
CAS Number:
326866-17-5
Molecular Formula:
C24H23N3O3S3
Molecular Weight:
497.6527
MDL Number:
MFCD02167759
IUPAC Name:
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
InChI:
InChI=1S/C24H23N3O3S3/c1-16-4-9-20-21(15-16)32-24(26-20)18-5-7-19(8-6-18)25-23(28)17-10-12-27(13-11-17)33(29,30)22-3-2-14-31-22/h2-9,14-15,17H,10-13H2,1H3,(H,25,28)
InChI Key:
IVGKSFUEBSXSAE-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)S(=O)(=O)c1cccs1)Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.09g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.646g/mol
Monoisotopic Mass:
497.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| The discovery and development of inhibitors of fatty acid amide hydrolase (FAAH). | Bioorganic & medicinal chemistry letters 20110815 |
| Synthesis and evaluation of benzothiazole-based analogues as novel, potent, and selective fatty acid amide hydrolase inhibitors. | Journal of medicinal chemistry 20090108 |
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