(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide

C22H23N3O5S — CID 57325771

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(-c2ccc(-c3ccccn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H23N3O5S/c1-22(21(27)24-28,31(2,29)30)11-14-25-13-10-18(15-20(25)26)16-6-8-17(9-7-16)19-5-3-4-12-23-19/h3-10,12-13,15,28H,11,14H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyGVJJDWNTWSOHQV-JOCHJYFZSA-N
MW441.51 g/mol
LogP2.28
Rot. Bonds7

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide (PubChem CID 57325771) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide
PubChem CID57325771
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide
SMILESC[C@@](CCn1ccc(-c2ccc(-c3ccccn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H23N3O5S/c1-22(21(27)24-28,31(2,29)30)11-14-25-13-10-18(15-20(25)26)16-6-8-17(9-7-16)19-5-3-4-12-23-19/h3-10,12-13,15,28H,11,14H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyGVJJDWNTWSOHQV-JOCHJYFZSA-N
XLogP2.28
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide (CID 57325771) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide is C[C@@](CCn1ccc(-c2ccc(-c3ccccn3)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide?
The InChIKey is GVJJDWNTWSOHQV-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-22(21(27)24-28,31(2,29)30)11-14-25-13-10-18(15-20(25)26)16-6-8-17(9-7-16)19-5-3-4-12-23-19/h3-10,12-13,15,28H,11,14H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide has a molecular weight of 441.51 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 57325771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).