(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide

C16H19N3O5S — CID 57326697

IUPAC(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide
SMILESC[C@@](CCn1ncc(-c2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19N3O5S/c1-16(15(21)18-22,25(2,23)24)8-9-19-14(20)10-13(11-17-19)12-6-4-3-5-7-12/h3-7,10-11,22H,8-9H2,1-2H3,(H,18,21)/t16-/m1/s1
InChIKeySYKZSIOCMLLRFV-MRXNPFEDSA-N
MW365.41 g/mol
LogP0.61
Rot. Bonds6

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide (PubChem CID 57326697) 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-(6-oxo-4-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide
PubChem CID57326697
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide
SMILESC[C@@](CCn1ncc(-c2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C16H19N3O5S/c1-16(15(21)18-22,25(2,23)24)8-9-19-14(20)10-13(11-17-19)12-6-4-3-5-7-12/h3-7,10-11,22H,8-9H2,1-2H3,(H,18,21)/t16-/m1/s1
InChIKeySYKZSIOCMLLRFV-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'}

Analyze (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-pyridin-2-yl-1-pyridinyl)butanamide
CID 57326892
N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-(2-phenylethyl)indazol-1-yl]butanamide
CID 118174823
N-hydroxy-2-methyl-4-[4-[4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 140640860
N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide
CID 66558303
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
(2R)-4-(4-fluoro-1-oxo-6-phenylisoquinolin-2-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217685
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-[4-(2-pyridin-2-ylethoxy)phenyl]-1-pyridinyl]butanamide
CID 90116360
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
(2R)-4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 57326693

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide?
The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide (CID 57326697) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide is C[C@@](CCn1ncc(-c2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide?
The InChIKey is SYKZSIOCMLLRFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-16(15(21)18-22,25(2,23)24)8-9-19-14(20)10-13(11-17-19)12-6-4-3-5-7-12/h3-7,10-11,22H,8-9H2,1-2H3,(H,18,21)/t16-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide?
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-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-(6-oxo-4-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 57326697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).