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1258963-59-5 | 2-Propanesulfonamide, N-[(3S,4S)-4-[4-(5-cyano-2-thienyl)phenoxy]tetrahydro-3-furanyl]-
CAS No: 1258963-59-5 Catalog No: AG000OWT MDL No:
Product Description
Catalog Number:
AG000OWT
Chemical Name:
2-Propanesulfonamide, N-[(3S,4S)-4-[4-(5-cyano-2-thienyl)phenoxy]tetrahydro-3-furanyl]-
CAS Number:
1258963-59-5
Molecular Formula:
C18H20N2O4S2
Molecular Weight:
392.4924
IUPAC Name:
N-[(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]oxolan-3-yl]propane-2-sulfonamide
InChI:
InChI=1S/C18H20N2O4S2/c1-12(2)26(21,22)20-16-10-23-11-17(16)24-14-5-3-13(4-6-14)18-8-7-15(9-19)25-18/h3-8,12,16-17,20H,10-11H2,1-2H3/t16-,17+/m0/s1
InChI Key:
TTYKUKSFWHEBLI-DLBZAZTESA-N
SMILES:
CC(S(=O)(=O)N[C@H]1COC[C@H]1Oc1ccc(cc1)c1ccc(s1)C#N)C
UNII:
9G1A824CC2
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
392.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.488g/mol
Monoisotopic Mass:
392.086g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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