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

C18H27NO5S — CID 91663366

IUPAC4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H27NO5S/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h8-11,15,21H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyQHXIOINVOJWUPC-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.64
Rot. Bonds7

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

4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 91663366) has the molecular formula C18H27NO5S and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID91663366
Molecular FormulaC18H27NO5S
Molecular Weight369.48 g/mol
Exact Mass369.16
IUPAC Name4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H27NO5S/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h8-11,15,21H,3-7,12-13H2,1-2H3,(H,19,20)
InChIKeyQHXIOINVOJWUPC-UHFFFAOYSA-N
XLogP2.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.64
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-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 91663366) is 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OC2CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is QHXIOINVOJWUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5S/c1-18(17(20)19-21,25(2,22)23)13-12-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h8-11,15,21H,3-7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 369.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyloxyphenyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 91663366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).