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

C17H25NO5S — CID 56951128

IUPAC4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H25NO5S/c1-17(16(19)18-20,24(2,21)22)12-11-13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,20H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyWGMNEOKBHBLTGZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.25
Rot. Bonds7

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

4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 56951128) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID56951128
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H25NO5S/c1-17(16(19)18-20,24(2,21)22)12-11-13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,20H,3-6,11-12H2,1-2H3,(H,18,19)
InChIKeyWGMNEOKBHBLTGZ-UHFFFAOYSA-N
XLogP2.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.25
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 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 56951128) is 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OC2CCCC2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WGMNEOKBHBLTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-17(16(19)18-20,24(2,21)22)12-11-13-7-9-15(10-8-13)23-14-5-3-4-6-14/h7-10,14,20H,3-6,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 355.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 56951128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).