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

C20H22N2O5S — CID 51355855

IUPAC4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O5S/c1-20(19(23)22-24,28(2,25)26)12-11-15-7-9-18(10-8-15)27-14-17-5-3-16(13-21)4-6-17/h3-10,24H,11-12,14H2,1-2H3,(H,22,23)
InChIKeyULLSADYDUCERIZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.38
Rot. Bonds8

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

4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 51355855) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID51355855
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1ccc(OCc2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C20H22N2O5S/c1-20(19(23)22-24,28(2,25)26)12-11-15-7-9-18(10-8-15)27-14-17-5-3-16(13-21)4-6-17/h3-10,24H,11-12,14H2,1-2H3,(H,22,23)
InChIKeyULLSADYDUCERIZ-UHFFFAOYSA-N
XLogP2.38
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
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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Related Compounds

N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130
4-[4-[(2-ethylphenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663429
N-hydroxy-4-(4-methoxyphenyl)-2-methyl-2-methylsulfonylbutanamide
CID 56951127
4-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663402
4-[4-(5-cyanothiophen-2-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851121
4-[4-[[2-(2-fluorophenyl)-5-methyl-2,3-dihydro-1,3-oxazol-4-yl]methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 91663378
4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
N-hydroxy-4-[4-[4-[(2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]-2-methyl-2-methylsulfonylbutanamide;methyl 4-[4-[4-[(2S)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]phenyl]-2-methyl-2-methylsulfonylbutanoate
CID 160707792
4-[4-(cyclohepten-1-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 86668776
4-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684337
methyl 4-(4-ethynylphenyl)-2-methyl-2-methylsulfonylbutanoate
CID 118659596
4-[4-(2,3-dichlorophenyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684268

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 51355855) is 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1ccc(OCc2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is ULLSADYDUCERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-20(19(23)22-24,28(2,25)26)12-11-15-7-9-18(10-8-15)27-14-17-5-3-16(13-21)4-6-17/h3-10,24H,11-12,14H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 402.47 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-cyanophenyl)methoxy]phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 51355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).