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

C22H29NO6S — CID 88851046

IUPACN-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(OCCCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H29NO6S/c1-22(21(25)23-26,30(2,27)28)14-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-16-4-3-15-24/h5-12,24,26H,3-4,13-16H2,1-2H3,(H,23,25)
InChIKeyOSCYRTIAIOMESO-UHFFFAOYSA-N
MW435.54 g/mol
LogP2.75
Rot. Bonds11

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

N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 88851046) has the molecular formula C22H29NO6S and a molecular weight of 435.54 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID88851046
Molecular FormulaC22H29NO6S
Molecular Weight435.54 g/mol
Exact Mass435.17
IUPAC NameN-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(OCCCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H29NO6S/c1-22(21(25)23-26,30(2,27)28)14-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-16-4-3-15-24/h5-12,24,26H,3-4,13-16H2,1-2H3,(H,23,25)
InChIKeyOSCYRTIAIOMESO-UHFFFAOYSA-N
XLogP2.75
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 88851046) is N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(OCCCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OSCYRTIAIOMESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6S/c1-22(21(25)23-26,30(2,27)28)14-13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-16-4-3-15-24/h5-12,24,26H,3-4,13-16H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 435.54 g/mol, XLogP of 2.75, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 88851046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).