4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C18H25NO4S — CID 88851073

IUPAC4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(C2=CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-13H2,1-2H3,(H,19,20)
InChIKeyZTMQOZNKZMKWHO-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.89
Rot. Bonds6

About 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851073) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851073
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(C2=CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-13H2,1-2H3,(H,19,20)
InChIKeyZTMQOZNKZMKWHO-UHFFFAOYSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 88851073) is 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(C2=CCCCC2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ZTMQOZNKZMKWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-18(17(20)19-21,24(2,22)23)13-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-13H2,1-2H3,(H,19,20).
What are the key properties of 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 351.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexen-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).