N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

C22H24N2O6S — CID 51355577

IUPACN-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(-c3cc(CO)no3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H24N2O6S/c1-22(21(26)23-27,31(2,28)29)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19(14-25)24-30-20/h3-10,13,25,27H,11-12,14H2,1-2H3,(H,23,26)
InChIKeyAFBRUGUOALHDIE-UHFFFAOYSA-N
MW444.51 g/mol
LogP2.74
Rot. Bonds8

About N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide

N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 51355577) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID51355577
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(-c3cc(CO)no3)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C22H24N2O6S/c1-22(21(26)23-27,31(2,28)29)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19(14-25)24-30-20/h3-10,13,25,27H,11-12,14H2,1-2H3,(H,23,26)
InChIKeyAFBRUGUOALHDIE-UHFFFAOYSA-N
XLogP2.74
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 51355577) is N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(-c3cc(CO)no3)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is AFBRUGUOALHDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-22(21(26)23-27,31(2,28)29)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)20-13-19(14-25)24-30-20/h3-10,13,25,27H,11-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 444.51 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-[3-(hydroxymethyl)-1,2-oxazol-5-yl]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 51355577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).