(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C24H28FN3O7S — CID 86668778

IUPAC(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN3O7S/c1-15(29)26-13-19-14-28(23(31)35-19)18-8-9-20(21(25)12-18)17-6-4-16(5-7-17)10-11-24(2,22(30)27-32)36(3,33)34/h4-9,12,19,32H,10-11,13-14H2,1-3H3,(H,26,29)(H,27,30)/t19-,24-/m1/s1
InChIKeyOOVQXTFCMSSJEW-NTKDMRAZSA-N
MW521.57 g/mol
LogP2.20
Rot. Bonds9

About (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 86668778) has the molecular formula C24H28FN3O7S and a molecular weight of 521.57 g/mol. Its IUPAC name is (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID86668778
Molecular FormulaC24H28FN3O7S
Molecular Weight521.57 g/mol
Exact Mass521.16
IUPAC Name(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H28FN3O7S/c1-15(29)26-13-19-14-28(23(31)35-19)18-8-9-20(21(25)12-18)17-6-4-16(5-7-17)10-11-24(2,22(30)27-32)36(3,33)34/h4-9,12,19,32H,10-11,13-14H2,1-3H3,(H,26,29)(H,27,30)/t19-,24-/m1/s1
InChIKeyOOVQXTFCMSSJEW-NTKDMRAZSA-N
XLogP2.20
TPSA142.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 52.20
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 86668778) is (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)NC[C@@H]1CN(c2ccc(-c3ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OOVQXTFCMSSJEW-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H28FN3O7S/c1-15(29)26-13-19-14-28(23(31)35-19)18-8-9-20(21(25)12-18)17-6-4-16(5-7-17)10-11-24(2,22(30)27-32)36(3,33)34/h4-9,12,19,32H,10-11,13-14H2,1-3H3,(H,26,29)(H,27,30)/t19-,24-/m1/s1.
What are the key properties of (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 521.57 g/mol, XLogP of 2.20, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 86668778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).