(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide

C17H20N2O4S — CID 56950736

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide
SMILESC[C@@](CCc1ccc(-c2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)10-9-13-5-7-14(8-6-13)15-4-3-11-18-12-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyQRJKJRHFZNJBHB-QGZVFWFLSA-N
MW348.42 g/mol
LogP1.99
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide (PubChem CID 56950736) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide
PubChem CID56950736
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide
SMILESC[C@@](CCc1ccc(-c2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)10-9-13-5-7-14(8-6-13)15-4-3-11-18-12-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,19,20)/t17-/m1/s1
InChIKeyQRJKJRHFZNJBHB-QGZVFWFLSA-N
XLogP1.99
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.99
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)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide (CID 56950736) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide is C[C@@](CCc1ccc(-c2cccnc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide?
The InChIKey is QRJKJRHFZNJBHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-17(16(20)19-21,24(2,22)23)10-9-13-5-7-14(8-6-13)15-4-3-11-18-12-15/h3-8,11-12,21H,9-10H2,1-2H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide has a molecular weight of 348.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide is sourced from PubChem (CID 56950736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).