1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone

C19H21NO4S — CID 10937266

IUPAC1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1O[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-13-9-11-17(12-10-13)25(22,23)20-14(2)18(24-19(20)15(3)21)16-7-5-4-6-8-16/h4-12,14,18-19H,1-3H3/t14-,18-,19-/m0/s1
InChIKeyLGNPUNUSNIAFQQ-JVPBZIDWSA-N
MW359.45 g/mol
LogP3.06
Rot. Bonds4

About 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone

1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone (PubChem CID 10937266) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
PubChem CID10937266
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1O[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4S/c1-13-9-11-17(12-10-13)25(22,23)20-14(2)18(24-19(20)15(3)21)16-7-5-4-6-8-16/h4-12,14,18-19H,1-3H3/t14-,18-,19-/m0/s1
InChIKeyLGNPUNUSNIAFQQ-JVPBZIDWSA-N
XLogP3.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone with MolForge

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Related Compounds

methyl (E)-3-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]but-2-enoate
CID 177407963
methyl (2S,3S)-2-amino-3-hydroxy-3-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]propanoate
CID 10694133
(2R)-2-[(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]-2H-furan-5-one
CID 14644397
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
trimethyl-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]silane
CID 15500792
(2S,4R,5S)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyloxathiazolidine 2-oxide
CID 69240394
4-methyl-3-(4-methylphenyl)sulfonyl-2,5-diphenyl-1,3,2λ5-oxazaphospholidine 2-oxide
CID 90152202
[3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]-phenylmethanone
CID 86089964
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742
(5R)-5-[(2R,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 15361476
2,2-dimethyl-1-[(2S,3R)-1-(4-methylphenyl)sulfonyl-3-phenylaziridin-2-yl]propan-1-one
CID 10066920

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone (CID 10937266) is 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone is CC(=O)[C@@H]1O[C@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone?
The InChIKey is LGNPUNUSNIAFQQ-JVPBZIDWSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13-9-11-17(12-10-13)25(22,23)20-14(2)18(24-19(20)15(3)21)16-7-5-4-6-8-16/h4-12,14,18-19H,1-3H3/t14-,18-,19-/m0/s1.
What are the key properties of 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone?
1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone has a molecular weight of 359.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S,5R)-4-methyl-3-(4-methylphenyl)sulfonyl-5-phenyl-1,3-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 10937266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).