(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

C20H25FN2O5S — CID 23656291

IUPAC(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyNSDMBIOAMTZMED-LJQANCHMSA-N
MW424.49 g/mol
LogP2.76
Rot. Bonds10

About (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide

(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (PubChem CID 23656291) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
PubChem CID23656291
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyNSDMBIOAMTZMED-LJQANCHMSA-N
XLogP2.76
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide (CID 23656291) is (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(Cc1ccccc1)S(=O)(=O)c1ccc(OCCF)cc1.
What is the InChIKey of (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
The InChIKey is NSDMBIOAMTZMED-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-15(2)19(20(24)22-25)23(14-16-6-4-3-5-7-16)29(26,27)18-10-8-17(9-11-18)28-13-12-21/h3-11,15,19,25H,12-14H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide has a molecular weight of 424.49 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[4-(2-fluoroethoxy)phenyl]sulfonylamino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 23656291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).