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

C20H23NO5S — CID 90684306

IUPAC(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyCIRMNVOQHGJYQO-HXUWFJFHSA-N
MW389.47 g/mol
LogP2.80
Rot. Bonds7

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

(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684306) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684306
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)/t20-/m1/s1
InChIKeyCIRMNVOQHGJYQO-HXUWFJFHSA-N
XLogP2.80
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.80
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

8-(biphenyl-4-yl)-N-hydroxy-8-oxooctanamide
CID 10314237
(2R)-4-[4-(4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56950734
(2R)-N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 56950999
2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-pentanoic acid hydroxyamide
CID 10389113
(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
N-hydroxy-4-[4-[4-(2-hydroxyacetyl)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 76445727
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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684306) is (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CIRMNVOQHGJYQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-14(22)16-8-10-18(11-9-16)17-6-4-15(5-7-17)12-13-20(2,19(23)21-24)27(3,25)26/h4-11,24H,12-13H2,1-3H3,(H,21,23)/t20-/m1/s1.
What are the key properties of (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 389.47 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-(4-acetylphenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).