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

C20H25NO6S — CID 90684281

IUPACN-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(OCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H25NO6S/c1-20(19(23)21-24,28(2,25)26)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)27-14-13-22/h3-10,22,24H,11-14H2,1-2H3,(H,21,23)
InChIKeyWKJPZZKLGZCWCF-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.97
Rot. Bonds9

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

N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684281) has the molecular formula C20H25NO6S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684281
Molecular FormulaC20H25NO6S
Molecular Weight407.49 g/mol
Exact Mass407.14
IUPAC NameN-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(-c2ccc(OCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H25NO6S/c1-20(19(23)21-24,28(2,25)26)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)27-14-13-22/h3-10,22,24H,11-14H2,1-2H3,(H,21,23)
InChIKeyWKJPZZKLGZCWCF-UHFFFAOYSA-N
XLogP1.97
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide (CID 90684281) is N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(-c2ccc(OCCO)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is WKJPZZKLGZCWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6S/c1-20(19(23)21-24,28(2,25)26)12-11-15-3-5-16(6-4-15)17-7-9-18(10-8-17)27-14-13-22/h3-10,22,24H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide?
N-hydroxy-4-[4-[4-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 407.49 g/mol, XLogP of 1.97, 9 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-(2-hydroxyethoxy)phenyl]phenyl]-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).