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

C19H20N2O4S — CID 56950734

IUPAC(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20N2O4S/c1-19(18(22)21-23,26(2,24)25)12-11-14-3-7-16(8-4-14)17-9-5-15(13-20)6-10-17/h3-10,23H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyYWHOFPDGCOTMNB-LJQANCHMSA-N
MW372.45 g/mol
LogP2.47
Rot. Bonds6

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

(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 56950734) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID56950734
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCc1ccc(-c2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C19H20N2O4S/c1-19(18(22)21-23,26(2,24)25)12-11-14-3-7-16(8-4-14)17-9-5-15(13-20)6-10-17/h3-10,23H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1
InChIKeyYWHOFPDGCOTMNB-LJQANCHMSA-N
XLogP2.47
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.47
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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Related Compounds

(2R)-4-[4-(4-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950732
(2R)-4-Biphenyl-4-yl-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 51355576
(2R)-4-[4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950733
4-(3-Fluorobiphenyl-4-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 51355298
4-[4-(2-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445446
4-[4-(3-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445520
4-[4-(4-chlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76445590
4-(4-cyclohept-1-en-1-ylphenyl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 86668776
4-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851059
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851073
4-[4-(4-cyanophenyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851131

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 56950734) is (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCc1ccc(-c2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is YWHOFPDGCOTMNB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-19(18(22)21-23,26(2,24)25)12-11-14-3-7-16(8-4-14)17-9-5-15(13-20)6-10-17/h3-10,23H,11-12H2,1-2H3,(H,21,22)/t19-/m1/s1.
What are the key properties of (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 372.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 56950734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).