[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate

C19H19NO6S — CID 135055437

IUPAC[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO6S/c1-13-8-10-16(11-9-13)27(23,24)20-17(12-25-19(20)22)18(26-14(2)21)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1
InChIKeyOTHPKRQXAGXNNQ-QZTJIDSGSA-N
MW389.43 g/mol
LogP2.81
Rot. Bonds5

About [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate

[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate (PubChem CID 135055437) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate
PubChem CID135055437
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO6S/c1-13-8-10-16(11-9-13)27(23,24)20-17(12-25-19(20)22)18(26-14(2)21)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1
InChIKeyOTHPKRQXAGXNNQ-QZTJIDSGSA-N
XLogP2.81
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate?
The IUPAC name of [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate (CID 135055437) is [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate.
What is the SMILES notation for [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate?
The canonical SMILES for [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate is CC(=O)O[C@H](c1ccccc1)[C@H]1COC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate?
The InChIKey is OTHPKRQXAGXNNQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-13-8-10-16(11-9-13)27(23,24)20-17(12-25-19(20)22)18(26-14(2)21)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate?
[(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate has a molecular weight of 389.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R)-3-(4-methylphenyl)sulfonyl-2-oxo-1,3-oxazolidin-4-yl]-phenylmethyl] acetate is sourced from PubChem (CID 135055437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).