N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide

C22H22N2O3S — CID 147985975

IUPACN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
SMILESO=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(13-10-19-7-4-14-23-16-19)15-18-8-11-21(12-9-18)24-28(26,27)17-20-5-2-1-3-6-20/h1-9,11-12,14,16,24H,10,13,15,17H2
InChIKeyIUDGCNAZSIIKDJ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.77
Rot. Bonds9

About N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 147985975) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
PubChem CID147985975
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
SMILESO=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(13-10-19-7-4-14-23-16-19)15-18-8-11-21(12-9-18)24-28(26,27)17-20-5-2-1-3-6-20/h1-9,11-12,14,16,24H,10,13,15,17H2
InChIKeyIUDGCNAZSIIKDJ-UHFFFAOYSA-N
XLogP3.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
4-(3-methylbutanoyl)-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 158304763
5-chloro-2-methoxy-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfonamide
CID 147240975
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
2,3-dimethyl-4-oxo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]quinazoline-6-sulfonamide
CID 159742986
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
N-cyclohexyl-3-[[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfamoyl]benzamide
CID 149385041
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-bromo-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]benzenesulfinamide;hydrate
CID 160710505
N-[2-[(2S)-2-hydroxypropoxy]phenyl]-4-(2-oxo-4-pyridin-3-ylbutyl)benzenesulfonamide
CID 165042728

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide (CID 147985975) is N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide is O=C(CCc1cccnc1)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is IUDGCNAZSIIKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(13-10-19-7-4-14-23-16-19)15-18-8-11-21(12-9-18)24-28(26,27)17-20-5-2-1-3-6-20/h1-9,11-12,14,16,24H,10,13,15,17H2.
What are the key properties of N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide?
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 147985975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).