N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide

C20H25NO5S — CID 91663432

IUPACN-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H25NO5S/c1-15-5-4-6-17(13-15)14-26-18-9-7-16(8-10-18)11-12-20(2,19(22)21-23)27(3,24)25/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22)
InChIKeySUKWQTFSLMTKFD-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.82
Rot. Bonds8

About N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide (PubChem CID 91663432) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
PubChem CID91663432
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC NameN-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide
SMILESCc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H25NO5S/c1-15-5-4-6-17(13-15)14-26-18-9-7-16(8-10-18)11-12-20(2,19(22)21-23)27(3,24)25/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22)
InChIKeySUKWQTFSLMTKFD-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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide (CID 91663432) is N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide is Cc1cccc(COc2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)c1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
The InChIKey is SUKWQTFSLMTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-15-5-4-6-17(13-15)14-26-18-9-7-16(8-10-18)11-12-20(2,19(22)21-23)27(3,24)25/h4-10,13,23H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-hydroxy-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-[(3-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-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).