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Home > Sulfanilamide > 1219633-99-4
1219633-99-4 | N-[(3R,4S)-3-[4-(5-cyano-2-thienyl)phenyl]tetrahydro-2H-pyran-4-yl]-2-propanesulfonamide
CAS No: 1219633-99-4 Catalog No: AG01ENNH MDL No:
Product Description
Catalog Number:
AG01ENNH
Chemical Name:
N-[(3R,4S)-3-[4-(5-cyano-2-thienyl)phenyl]tetrahydro-2H-pyran-4-yl]-2-propanesulfonamide
CAS Number:
1219633-99-4
Molecular Formula:
C19H22N2O3S2
Molecular Weight:
390.5196
IUPAC Name:
N-[(3R,4S)-3-[4-(5-cyanothiophen-2-yl)phenyl]oxan-4-yl]propane-2-sulfonamide
InChI:
InChI=1S/C19H22N2O3S2/c1-13(2)26(22,23)21-18-9-10-24-12-17(18)14-3-5-15(6-4-14)19-8-7-16(11-20)25-19/h3-8,13,17-18,21H,9-10,12H2,1-2H3/t17-,18+/m1/s1
InChI Key:
FFAGHPLLBXWCSF-MSOLQXFVSA-N
SMILES:
CC(S(=O)(=O)N[C@H]1CCOC[C@@H]1c1ccc(cc1)c1ccc(s1)C#N)C
UNII:
TI55D82Z4B
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
390.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.516g/mol
Monoisotopic Mass:
390.107g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| An evaluation of using rat-derived single-dose neuropharmacokinetic parameters to project accurately large animal unbound brain drug concentrations. | Drug metabolism and disposition: the biological fate of chemicals 20121101 |
| Prevention of ketamine-induced working memory impairments by AMPA potentiators in a nonhuman primate model of cognitive dysfunction. | Behavioural brain research 20100901 |
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