(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one

C25H29NO5S — CID 57084016

IUPAC(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C25H29NO5S/c1-32(29,30)22-13-11-20(12-14-22)23(16-19-9-5-6-10-19)24(27)26-21(17-31-25(26)28)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,19,21,23H,5-6,9-10,15-17H2,1H3/t21-,23+/m1/s1
InChIKeyGVUJBZVCKZYXSO-GGAORHGYSA-N
MW455.58 g/mol
LogP4.34
Rot. Bonds7

About (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 57084016) has the molecular formula C25H29NO5S and a molecular weight of 455.58 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID57084016
Molecular FormulaC25H29NO5S
Molecular Weight455.58 g/mol
Exact Mass455.18
IUPAC Name(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C25H29NO5S/c1-32(29,30)22-13-11-20(12-14-22)23(16-19-9-5-6-10-19)24(27)26-21(17-31-25(26)28)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,19,21,23H,5-6,9-10,15-17H2,1H3/t21-,23+/m1/s1
InChIKeyGVUJBZVCKZYXSO-GGAORHGYSA-N
XLogP4.34
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 57084016) is (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one is CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is GVUJBZVCKZYXSO-GGAORHGYSA-N. The full InChI is InChI=1S/C25H29NO5S/c1-32(29,30)22-13-11-20(12-14-22)23(16-19-9-5-6-10-19)24(27)26-21(17-31-25(26)28)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,19,21,23H,5-6,9-10,15-17H2,1H3/t21-,23+/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 455.58 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2S)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 57084016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).