N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide

C13H19NO5S — CID 56951127

IUPACN-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO5S/c1-13(12(15)14-16,20(3,17)18)9-8-10-4-6-11(19-2)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyYUOMDPRXYQIDCI-UHFFFAOYSA-N
MW301.36 g/mol
LogP0.94
Rot. Bonds6

About N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide (PubChem CID 56951127) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
PubChem CID56951127
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC NameN-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
SMILESCOc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO5S/c1-13(12(15)14-16,20(3,17)18)9-8-10-4-6-11(19-2)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15)
InChIKeyYUOMDPRXYQIDCI-UHFFFAOYSA-N
XLogP0.94
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 50.94
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

4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 51355855
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130
4-[4-[(3-fluorophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663394
4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663402
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268
4-[4-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663399
4-[4-(3,6-dihydro-2H-thiopyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851060
4-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684337
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
4-[4-(3-chloro-4-cyanophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684284

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide (CID 56951127) is N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide is COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1.
What is the InChIKey of N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is YUOMDPRXYQIDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-13(12(15)14-16,20(3,17)18)9-8-10-4-6-11(19-2)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 301.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 56951127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).