N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide

C20H25NO5S — CID 91663386

IUPACN-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1ccccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO5S/c1-15-6-4-5-7-17(15)14-26-18-10-8-16(9-11-18)12-13-20(2,19(22)21-23)27(3,24)25/h4-11,23H,12-14H2,1-3H3,(H,21,22)
InChIKeyAPIUQEFSJPFBCI-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.82
Rot. Bonds8

About N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide (PubChem CID 91663386) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
PubChem CID91663386
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1ccccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO5S/c1-15-6-4-5-7-17(15)14-26-18-10-8-16(9-11-18)12-13-20(2,19(22)21-23)27(3,24)25/h4-11,23H,12-14H2,1-3H3,(H,21,22)
InChIKeyAPIUQEFSJPFBCI-UHFFFAOYSA-N
XLogP2.82
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.82
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-7-(4-phenylphenoxy)heptanamide
CID 22915465
(2r)-N-Hydroxy-2-Methyl-2-(Methylsulfonyl)-4-{4'-[3-(Morpholin-4-Yl)propoxy]biphenyl-4-Yl}butanamide
CID 54754548
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylmethoxyphenyl)butanamide
CID 56951004
3-(4-Methoxy-benzenesulfonyl)-2-methyl-7-phenyl-heptanoic acid hydroxyamide
CID 9801414
(R)-3-(4-(2-(diethylamino)ethoxy)phenyl)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methylpropanamide
CID 9869068
N-hydroxy-2-(4-methoxyphenylsulfonyl)-3-phenylpropanamide
CID 9880842
(R)-3-(4-(2-(diethylamino)ethoxy)phenyl)-2-(4-ethoxyphenylsulfonyl)-N-hydroxy-2-methylpropanamide
CID 9891259
N-hydroxy-3-(4-methoxyphenyl)sulfonyl-2-methyl-7-phenylheptanamide
CID 10250722
3-(4-Methoxy-benzenesulfonyl)-7-phenyl-heptanoic acid hydroxyamide
CID 10572544
3-(4-Methoxy-benzenesulfonyl)-3-methyl-7-phenyl-heptanoic acid hydroxyamide
CID 10669027
3-(4-Methoxy-benzenesulfonyl)-6-phenyl-hexanoic acid hydroxyamide
CID 10714610
3-(4-Methoxy-benzenesulfonyl)-5-phenyl-pentanoic acid hydroxyamide
CID 10761206

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide (CID 91663386) is N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide is Cc1ccccc1COc1ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The InChIKey is APIUQEFSJPFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15-6-4-5-7-17(15)14-26-18-10-8-16(9-11-18)12-13-20(2,19(22)21-23)27(3,24)25/h4-11,23H,12-14H2,1-3H3,(H,21,22).
What are the key properties of N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide has a molecular weight of 391.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-[(2-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).