(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide

C16H19N3O5S — CID 57326695

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide
SMILESC[C@@](CCn1ccc(-c2ccccc2)nc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19N3O5S/c1-16(14(20)18-22,25(2,23)24)9-11-19-10-8-13(17-15(19)21)12-6-4-3-5-7-12/h3-8,10,22H,9,11H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyDCTCDAMRYIRJDY-MRXNPFEDSA-N
MW365.41 g/mol
LogP0.61
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide (PubChem CID 57326695) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide
PubChem CID57326695
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide
SMILESC[C@@](CCn1ccc(-c2ccccc2)nc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19N3O5S/c1-16(14(20)18-22,25(2,23)24)9-11-19-10-8-13(17-15(19)21)12-6-4-3-5-7-12/h3-8,10,22H,9,11H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyDCTCDAMRYIRJDY-MRXNPFEDSA-N
XLogP0.61
TPSA118.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.61
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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Related Compounds

(2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-(2-Oxo-4-Phenylpyridin-1(2h)-Yl)butanamide
CID 56593152
N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenyl-1-pyridinyl)butanamide
CID 76370542
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[2-oxo-4-(2-phenylethyl)pyridin-1(2H)-yl]butanamide
CID 57326597
(2R)-4-(3-Fluoro-2-oxo-4-phenylpyridin-1(2H)-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 57326693
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-{2-oxo-4-[(E)-2-phenylvinyl]pyridin-1(2H)-yl}butanamide
CID 57326986
(2R)-N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 57326598
(2R)-N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 57326599
(2R)-N-hydroxy-2-methyl-4-(2-methyl-6-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 57326692
4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511268
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2-phenylethyl)-1-pyridinyl]butanamide
CID 76511212
N-hydroxy-2-methyl-4-(3-methyl-2-oxo-4-phenylpyridin-1(2H)-yl)-2-(methylsulfonyl)butanamide
CID 76511213
N-hydroxy-2-methyl-4-(5-methyl-2-oxo-4-phenyl-1-pyridinyl)-2-methylsulfonylbutanamide
CID 76511214

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide (CID 57326695) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide is C[C@@](CCn1ccc(-c2ccccc2)nc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide?
The InChIKey is DCTCDAMRYIRJDY-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-16(14(20)18-22,25(2,23)24)9-11-19-10-8-13(17-15(19)21)12-6-4-3-5-7-12/h3-8,10,22H,9,11H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-phenylpyrimidin-1-yl)butanamide has a molecular weight of 365.41 g/mol, XLogP of 0.61, 6 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-phenylpyrimidin-1-yl)butanamide is sourced from PubChem (CID 57326695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).