(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide

C18H21NO4S — CID 51355576

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
SMILESC[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyGDYIQUFNICPYHF-GOSISDBHSA-N
MW347.44 g/mol
LogP2.59
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide (PubChem CID 51355576) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
PubChem CID51355576
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide
SMILESC[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1
InChIKeyGDYIQUFNICPYHF-GOSISDBHSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylphenyl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide (CID 51355576) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide is C[C@@](CCc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
The InChIKey is GDYIQUFNICPYHF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,21H,12-13H2,1-2H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide has a molecular weight of 347.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 51355576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).