(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

C20H23NO6S — CID 56950999

IUPAC(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C(=O)CO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H23NO6S/c1-20(19(24)21-25,28(2,26)27)12-11-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18(23)13-22/h3-10,22,25H,11-13H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyDBRUEVNKHQJZOQ-HXUWFJFHSA-N
MW405.47 g/mol
LogP1.77
Rot. Bonds8

About (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 56950999) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID56950999
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C(=O)CO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H23NO6S/c1-20(19(24)21-25,28(2,26)27)12-11-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18(23)13-22/h3-10,22,25H,11-13H2,1-2H3,(H,21,24)/t20-/m1/s1
InChIKeyDBRUEVNKHQJZOQ-HXUWFJFHSA-N
XLogP1.77
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 51.77
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 56950999) is (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1ccc(-c2ccc(C(=O)CO)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is DBRUEVNKHQJZOQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-20(19(24)21-25,28(2,26)27)12-11-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18(23)13-22/h3-10,22,25H,11-13H2,1-2H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 405.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 56950999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).