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263842-69-9 | Methanesulfonamide, N-[4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-
CAS No: 263842-69-9 Catalog No: AG002SYS MDL No:
Product Description
Catalog Number:
AG002SYS
Chemical Name:
Methanesulfonamide, N-[4-[[5,6-dihydro-4-hydroxy-6-(1-methylethyl)-2-oxo-6-(2-phenylethyl)-2H-pyran-3-yl]thio]-5-(1,1-dimethylethyl)-2-methylphenyl]-
CAS Number:
263842-69-9
Molecular Formula:
C28H37NO5S2
Molecular Weight:
531.7271
IUPAC Name:
N-[5-tert-butyl-4-[[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]methanesulfonamide
InChI:
InChI=1S/C28H37NO5S2/c1-18(2)28(14-13-20-11-9-8-10-12-20)17-23(30)25(26(31)34-28)35-24-15-19(3)22(29-36(7,32)33)16-21(24)27(4,5)6/h8-12,15-16,18,29-30H,13-14,17H2,1-7H3
InChI Key:
QQJSDMAKVLFILL-UHFFFAOYSA-N
SMILES:
OC1=C(Sc2cc(C)c(cc2C(C)(C)C)NS(=O)(=O)C)C(=O)OC(C1)(CCc1ccccc1)C(C)C
Properties
Complexity:
911
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.211g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
531.726g/mol
Monoisotopic Mass:
531.211g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| 5,6-Dihydropyran-2-ones possessing various sulfonyl functionalities: potent nonpeptidic inhibitors of HIV protease. | Journal of medicinal chemistry 20000309 |
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