N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide

C17H19NO5S — CID 12968522

IUPACN-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
SMILESCC(CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO5S/c1-13(17(19)18-20)11-12-24(21,22)16-9-7-15(8-10-16)23-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyOWHVLIAGVUWHOA-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.78
Rot. Bonds7

About N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide

N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide (PubChem CID 12968522) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
PubChem CID12968522
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide
SMILESCC(CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H19NO5S/c1-13(17(19)18-20)11-12-24(21,22)16-9-7-15(8-10-16)23-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyOWHVLIAGVUWHOA-UHFFFAOYSA-N
XLogP2.78
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.78
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-phenoxyphenyl)sulfonylbutane-2-thiol
CID 54239050
2-amino-N-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanamide;hydrochloride
CID 18406833
N-hydroxy-2-(4-phenoxyphenyl)sulfonylacetamide
CID 11616500
(2R)-2-[acetyl(methyl)amino]-N-hydroxy-3-(4-phenoxyphenyl)sulfonylpropanamide
CID 11741226
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]-2,6-dimethoxybenzamide
CID 59071627
N-[(2R)-1-(hydroxyamino)-1-oxo-3-(4-phenoxyphenyl)sulfonylpropan-2-yl]pyridine-4-carboxamide
CID 59071623
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867
2-amino-N-hydroxy-3-(4-phenoxyphenyl)sulfonyl-2-phenylpropanamide
CID 21130554
N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide
CID 22893212
4-(hydroxycarbamoyl)-4-[2-(4-phenoxyphenyl)sulfonylethyl]piperidine-1-carboxylic acid
CID 18406831
(2R)-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]-3-pyridin-3-ylpropanamide
CID 10216362
N,2-dihydroxy-3,3-dimethyl-4-(2-phenoxyphenyl)sulfonylbutanamide
CID 18406828

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide (CID 12968522) is N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide is CC(CCS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide?
The InChIKey is OWHVLIAGVUWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-13(17(19)18-20)11-12-24(21,22)16-9-7-15(8-10-16)23-14-5-3-2-4-6-14/h2-10,13,20H,11-12H2,1H3,(H,18,19).
What are the key properties of N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide?
N-hydroxy-2-methyl-4-(4-phenoxyphenyl)sulfonylbutanamide has a molecular weight of 349.41 g/mol, XLogP of 2.78, 7 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-phenoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 12968522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).