N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide

C22H29NO4S — CID 90684270

IUPACN-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide
SMILESCC(C)Cc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29NO4S/c1-16(2)15-18-7-11-20(12-8-18)19-9-5-17(6-10-19)13-14-22(3,21(24)23-25)28(4,26)27/h5-12,16,25H,13-15H2,1-4H3,(H,23,24)
InChIKeyVHWFXTUCUKDYHE-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.79
Rot. Bonds8

About N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide (PubChem CID 90684270) has the molecular formula C22H29NO4S and a molecular weight of 403.54 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide
PubChem CID90684270
Molecular FormulaC22H29NO4S
Molecular Weight403.54 g/mol
Exact Mass403.18
IUPAC NameN-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide
SMILESCC(C)Cc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H29NO4S/c1-16(2)15-18-7-11-20(12-8-18)19-9-5-17(6-10-19)13-14-22(3,21(24)23-25)28(4,26)27/h5-12,16,25H,13-15H2,1-4H3,(H,23,24)
InChIKeyVHWFXTUCUKDYHE-UHFFFAOYSA-N
XLogP3.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.79
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide (CID 90684270) is N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide is CC(C)Cc1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide?
The InChIKey is VHWFXTUCUKDYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4S/c1-16(2)15-18-7-11-20(12-8-18)19-9-5-17(6-10-19)13-14-22(3,21(24)23-25)28(4,26)27/h5-12,16,25H,13-15H2,1-4H3,(H,23,24).
What are the key properties of N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide has a molecular weight of 403.54 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-[4-(2-methylpropyl)phenyl]phenyl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).