N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide

C20H26N2O5S — CID 140640877

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
SMILESCC(C)c1cccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-6-5-7-16(12-15)17-8-10-22(18(23)13-17)11-9-20(3,19(24)21-25)28(4,26)27/h5-8,10,12-14,25H,9,11H2,1-4H3,(H,21,24)
InChIKeyABXPHOKQICLGLB-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.34
Rot. Bonds7

About N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide (PubChem CID 140640877) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
PubChem CID140640877
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
SMILESCC(C)c1cccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1
InChIInChI=1S/C20H26N2O5S/c1-14(2)15-6-5-7-16(12-15)17-8-10-22(18(23)13-17)11-9-20(3,19(24)21-25)28(4,26)27/h5-8,10,12-14,25H,9,11H2,1-4H3,(H,21,24)
InChIKeyABXPHOKQICLGLB-UHFFFAOYSA-N
XLogP2.34
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.34
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

4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
4-[4-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(2-oxo-4-pyridin-2-yl-1-pyridinyl)butanamide
CID 57326892
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
N-hydroxy-4-[4-[4-(3-hydroxypropyl)phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 86671938
(2R)-N-hydroxy-4-[4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 130207770
(2R)-N-hydroxy-4-[4-[6-(hydroxymethyl)-3-pyridinyl]-2-oxo-1-pyridinyl]-2-methyl-2-methylsulfonylbutanamide
CID 90116706
N-hydroxy-2-methyl-4-[4-(2-methyl-1H-indol-5-yl)-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116303
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[4-(1,2-oxazol-5-yl)phenyl]-2-oxo-1-pyridinyl]butanamide
CID 140640923
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116202

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide (CID 140640877) is N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide is CC(C)c1cccc(-c2ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)c1.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide?
The InChIKey is ABXPHOKQICLGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-14(2)15-6-5-7-16(12-15)17-8-10-22(18(23)13-17)11-9-20(3,19(24)21-25)28(4,26)27/h5-8,10,12-14,25H,9,11H2,1-4H3,(H,21,24).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide has a molecular weight of 406.50 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 140640877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).