(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide

C20H22N2O6S — CID 118050731

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cc2)C(=O)O1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O6S/c1-20(18(23)21-25,29(2,26)27)12-17-13-22(19(24)28-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,25H,12-13H2,1-2H3,(H,21,23)/t17-,20+/m0/s1
InChIKeyFXDFAFGZKQHXBQ-FXAWDEMLSA-N
MW418.47 g/mol
LogP2.38
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide (PubChem CID 118050731) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide
PubChem CID118050731
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide
SMILESC[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cc2)C(=O)O1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O6S/c1-20(18(23)21-25,29(2,26)27)12-17-13-22(19(24)28-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,25H,12-13H2,1-2H3,(H,21,23)/t17-,20+/m0/s1
InChIKeyFXDFAFGZKQHXBQ-FXAWDEMLSA-N
XLogP2.38
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-{(5S)-3-[4-(cyclopropylethynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)propanamide
CID 118051063
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-propylphenyl)-1,3-oxazolidin-5-yl]propanamide
CID 91755032
(2R)-3-[(5S)-3-(4-cyclopropylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050444
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-prop-1-ynylphenyl)-1,3-oxazolidin-5-yl]propanamide
CID 118050868
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118051087
(2R)-N-hydroxy-3-[(5S)-3-[4-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118059204
(2R)-N-hydroxy-3-[(5S)-3-[4-[4-[(2R)-2-hydroxypropyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118059208
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(4-morpholin-4-ylphenyl)phenyl]butanamide
CID 51355582
(2R)-4-{4'-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2'-fluorobiphenyl-4-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 86668778
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 10193784
N-[[(5S)-3-[4-(1,1-dioxo-3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10287260
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3,5-difluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 10309686

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide (CID 118050731) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide is C[C@@](C[C@H]1CN(c2ccc(-c3ccccc3)cc2)C(=O)O1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is FXDFAFGZKQHXBQ-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-20(18(23)21-25,29(2,26)27)12-17-13-22(19(24)28-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,25H,12-13H2,1-2H3,(H,21,23)/t17-,20+/m0/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 418.47 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-(4-phenylphenyl)-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 118050731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).