4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C20H27N3O7S2 — CID 90115864

IUPAC4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C20H27N3O7S2/c1-14-6-7-16(32(29,30)22(3)4)13-17(14)15-8-10-23(18(24)12-15)11-9-20(2,19(25)21-26)31(5,27)28/h6-8,10,12-13,26H,9,11H2,1-5H3,(H,21,25)
InChIKeyKVCYFKYHYRXHMK-UHFFFAOYSA-N
MW485.58 g/mol
LogP0.77
Rot. Bonds8

About 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90115864) has the molecular formula C20H27N3O7S2 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90115864
Molecular FormulaC20H27N3O7S2
Molecular Weight485.58 g/mol
Exact Mass485.13
IUPAC Name4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1
InChIInChI=1S/C20H27N3O7S2/c1-14-6-7-16(32(29,30)22(3)4)13-17(14)15-8-10-23(18(24)12-15)11-9-20(2,19(25)21-26)31(5,27)28/h6-8,10,12-13,26H,9,11H2,1-5H3,(H,21,25)
InChIKeyKVCYFKYHYRXHMK-UHFFFAOYSA-N
XLogP0.77
TPSA142.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90115848
4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957
4-[1-[4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-2-oxo-4-pyridinyl]-3-methylbenzamide
CID 90116562
4-[4-(3,4-difluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116024
4-[4-(2-cyanophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116202
4-[4-(3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 76511440
4-[4-(4-bromo-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116031
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-naphthalen-2-yl-2-oxo-1-pyridinyl)butanamide
CID 57325770
N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(2,3,6-trifluorophenyl)-1-pyridinyl]butanamide
CID 140597348
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-[2-oxo-4-(3-propan-2-ylphenyl)-1-pyridinyl]butanamide
CID 140640877
4-[4-(2-chloro-3-fluorophenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90116301

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90115864) is 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1-c1ccn(CCC(C)(C(=O)NO)S(C)(=O)=O)c(=O)c1.
What is the InChIKey of 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is KVCYFKYHYRXHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O7S2/c1-14-6-7-16(32(29,30)22(3)4)13-17(14)15-8-10-23(18(24)12-15)11-9-20(2,19(25)21-26)31(5,27)28/h6-8,10,12-13,26H,9,11H2,1-5H3,(H,21,25).
What are the key properties of 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 485.58 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90115864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).