200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 148900-64-5
148900-64-5 | 1H-Indole-2-carboxamide, 3-(phenylthio)-
CAS No: 148900-64-5 Catalog No: AG001LA0 MDL No:
Product Description
Catalog Number:
AG001LA0
Chemical Name:
1H-Indole-2-carboxamide, 3-(phenylthio)-
CAS Number:
148900-64-5
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
3-phenylsulfanyl-1H-indole-2-carboxamide
InChI:
InChI=1S/C15H12N2OS/c16-15(18)13-14(19-10-6-2-1-3-7-10)11-8-4-5-9-12(11)17-13/h1-9,17H,(H2,16,18)
InChI Key:
FSWPMLRYVQIPLP-UHFFFAOYSA-N
SMILES:
NC(=O)c1[nH]c2c(c1Sc1ccccc1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Design, molecular modeling, synthesis, and anti-HIV-1 activity of new indolyl aryl sulfones. Novel derivatives of the indole-2-carboxamide. | Journal of medicinal chemistry 20060601 |
| Docking and 3-D QSAR studies on indolyl aryl sulfones. Binding mode exploration at the HIV-1 reverse transcriptase non-nucleoside binding site and design of highly active N-(2-hydroxyethyl)carboxamide and N-(2-hydroxyethyl)carbohydrazide derivatives. | Journal of medicinal chemistry 20050113 |
| Novel indolyl aryl sulfones active against HIV-1 carrying NNRTI resistance mutations: synthesis and SAR studies. | Journal of medicinal chemistry 20030605 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.