4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

C26H28N2O4S — CID 158304763

IUPAC4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCC(C)CC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(2)16-26(30)22-8-13-25(14-9-22)33(31,32)28-23-10-5-20(6-11-23)17-24(29)12-7-21-4-3-15-27-18-21/h3-6,8-11,13-15,18-19,28H,7,12,16-17H2,1-2H3
InChIKeyGMYCJIOOKBSYGX-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.86
Rot. Bonds11

About 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide

4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (PubChem CID 158304763) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
PubChem CID158304763
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
SMILESCC(C)CC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(2)16-26(30)22-8-13-25(14-9-22)33(31,32)28-23-10-5-20(6-11-23)17-24(29)12-7-21-4-3-15-27-18-21/h3-6,8-11,13-15,18-19,28H,7,12,16-17H2,1-2H3
InChIKeyGMYCJIOOKBSYGX-UHFFFAOYSA-N
XLogP4.86
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
CID 159742986
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
CID 149385041
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide (CID 158304763) is 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is CC(C)CC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)CCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
The InChIKey is GMYCJIOOKBSYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19(2)16-26(30)22-8-13-25(14-9-22)33(31,32)28-23-10-5-20(6-11-23)17-24(29)12-7-21-4-3-15-27-18-21/h3-6,8-11,13-15,18-19,28H,7,12,16-17H2,1-2H3.
What are the key properties of 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide?
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158304763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).