1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone

C21H24FNO4S — CID 53384067

IUPAC1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C21H24FNO4S/c1-14(2)19-13-27-21(12-20(24)16-6-8-17(22)9-7-16)23(19)28(25,26)18-10-4-15(3)5-11-18/h4-11,14,19,21H,12-13H2,1-3H3/t19-,21+/m1/s1
InChIKeyNXECHACFIBJKMB-CTNGQTDRSA-N
MW405.49 g/mol
LogP3.78
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone (PubChem CID 53384067) has the molecular formula C21H24FNO4S and a molecular weight of 405.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone
PubChem CID53384067
Molecular FormulaC21H24FNO4S
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C21H24FNO4S/c1-14(2)19-13-27-21(12-20(24)16-6-8-17(22)9-7-16)23(19)28(25,26)18-10-4-15(3)5-11-18/h4-11,14,19,21H,12-13H2,1-3H3/t19-,21+/m1/s1
InChIKeyNXECHACFIBJKMB-CTNGQTDRSA-N
XLogP3.78
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone (CID 53384067) is 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone is Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C(C)C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone?
The InChIKey is NXECHACFIBJKMB-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H24FNO4S/c1-14(2)19-13-27-21(12-20(24)16-6-8-17(22)9-7-16)23(19)28(25,26)18-10-4-15(3)5-11-18/h4-11,14,19,21H,12-13H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone has a molecular weight of 405.49 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 53384067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).