(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide

C20H28N2O7S — CID 118050643

IUPAC(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCC1CC1c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C20H28N2O7S/c1-20(18(23)21-25,30(3,26)27)11-16-12-22(19(24)29-16)15-6-4-13(5-7-15)17-10-14(17)8-9-28-2/h4-7,14,16-17,25H,8-12H2,1-3H3,(H,21,23)/t14?,16-,17?,20+/m0/s1
InChIKeyPMWKLPFMGIALGG-KXYPLQGCSA-N
MW440.52 g/mol
LogP1.85
Rot. Bonds9

About (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide

(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 118050643) has the molecular formula C20H28N2O7S and a molecular weight of 440.52 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID118050643
Molecular FormulaC20H28N2O7S
Molecular Weight440.52 g/mol
Exact Mass440.16
IUPAC Name(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCOCCC1CC1c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1
InChIInChI=1S/C20H28N2O7S/c1-20(18(23)21-25,30(3,26)27)11-16-12-22(19(24)29-16)15-6-4-13(5-7-15)17-10-14(17)8-9-28-2/h4-7,14,16-17,25H,8-12H2,1-3H3,(H,21,23)/t14?,16-,17?,20+/m0/s1
InChIKeyPMWKLPFMGIALGG-KXYPLQGCSA-N
XLogP1.85
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-N-hydroxy-3-[(5S)-3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118051026
3-[3-(4-bromophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050574
N-hydroxy-3-[3-[4-(6-methoxyhex-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118050498
3-[3-(4-but-2-ynoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051005
3-[3-[4-[2-(2,2-difluorocyclopropyl)ethynyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 123633355
3-[3-[4-(methoxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
CID 118050768
(2R)-N-hydroxy-3-[(5S)-3-[4-(6-hydroxyhept-1-ynyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide
CID 118050424
(2R)-3-[(5S)-3-(4-bromo-2,6-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118051064
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[3-(oxolan-3-yl)prop-1-ynyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118051006
3-[3-[4-(2-cyclopropylethynyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118050897
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5S)-2-oxo-3-[4-[5-(triazol-2-yl)pent-1-ynyl]phenyl]-1,3-oxazolidin-5-yl]propanamide
CID 118050410
3-[3-(4-ethynylphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanoic acid
CID 118050525

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide (CID 118050643) is (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is COCCC1CC1c1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is PMWKLPFMGIALGG-KXYPLQGCSA-N. The full InChI is InChI=1S/C20H28N2O7S/c1-20(18(23)21-25,30(3,26)27)11-16-12-22(19(24)29-16)15-6-4-13(5-7-15)17-10-14(17)8-9-28-2/h4-7,14,16-17,25H,8-12H2,1-3H3,(H,21,23)/t14?,16-,17?,20+/m0/s1.
What are the key properties of (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide?
(2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 440.52 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-[(5S)-3-[4-[2-(2-methoxyethyl)cyclopropyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 118050643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).