N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide

C17H19NO5S — CID 56951002

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide
SMILESCC(COc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO5S/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyPBUOBWNMBHSRIY-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.04
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide

N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide (PubChem CID 56951002) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide
PubChem CID56951002
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide
SMILESCC(COc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19NO5S/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyPBUOBWNMBHSRIY-UHFFFAOYSA-N
XLogP2.04
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.04
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

N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
CID 56951004
3-(4-Phenylphenoxy)propanohydroxamic acid
CID 10587235
N-Hydroxy-2-(4-methoxy-phenylmethanesulfonyl)-2-methyl-3-phenyl-propionamide
CID 10992109
4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 56951128
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(2,4,6-trifluorophenyl)methoxy]phenyl]butanamide
CID 51355858
N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 88851046
N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 90684281
N-hydroxy-4-[4-[4-(3-hydroxypropoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 90684282
4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663366
4-[4-(2-fluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663369
4-[4-(2,3-difluorophenoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663374
4-[4-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663388

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide (CID 56951002) is N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide is CC(COc1ccc(-c2ccccc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide?
The InChIKey is PBUOBWNMBHSRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-17(16(19)18-20,24(2,21)22)12-23-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3,(H,18,19).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide has a molecular weight of 349.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-3-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 56951002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).