N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide

C28H26N2O3S — CID 153188468

IUPACN-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(c1ccc(CC(=O)CCc2cccnc2)cc1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H26N2O3S/c1-30(34(32,33)28-12-6-5-11-27(28)24-9-3-2-4-10-24)25-16-13-22(14-17-25)20-26(31)18-15-23-8-7-19-29-21-23/h2-14,16-17,19,21H,15,18,20H2,1H3
InChIKeyWHNYKKGJTWDPSH-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.32
Rot. Bonds9

About N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide

N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide (PubChem CID 153188468) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide
PubChem CID153188468
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide
SMILESCN(c1ccc(CC(=O)CCc2cccnc2)cc1)S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C28H26N2O3S/c1-30(34(32,33)28-12-6-5-11-27(28)24-9-3-2-4-10-24)25-16-13-22(14-17-25)20-26(31)18-15-23-8-7-19-29-21-23/h2-14,16-17,19,21H,15,18,20H2,1H3
InChIKeyWHNYKKGJTWDPSH-UHFFFAOYSA-N
XLogP5.32
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-phenylphenyl)benzamide
CID 159838586
1-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147366026
1-[4-[3-methylbutyl-[(2-phenylphenyl)methyl]amino]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158916420
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
1-[4-[(2-phenylphenyl)sulfinylmethyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 160725556
1-[4-[[2-(4-methylsulfonylphenyl)phenoxy]methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 147923950
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-1-phenylmethanesulfonamide
CID 147985975
1-[4-[(4-hydroxy-2-phenylphenoxy)methyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 158616278
1-[4-[2-(4-tert-butylphenyl)acetyl]phenyl]-4-pyridin-3-ylbutan-2-one
CID 159913920
1-[4-[2-(2-phenylphenoxy)ethyl]phenyl]-5-pyridin-3-ylpentan-3-one
CID 161218942
1-[4-[2-[2-[2-[3-(dimethylamino)-2-oxopropyl]phenyl]phenyl]ethoxy]phenyl]-4-pyridin-3-ylbutan-2-one
CID 153219617

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide (CID 153188468) is N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide is CN(c1ccc(CC(=O)CCc2cccnc2)cc1)S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide?
The InChIKey is WHNYKKGJTWDPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-30(34(32,33)28-12-6-5-11-27(28)24-9-3-2-4-10-24)25-16-13-22(14-17-25)20-26(31)18-15-23-8-7-19-29-21-23/h2-14,16-17,19,21H,15,18,20H2,1H3.
What are the key properties of N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide?
N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide has a molecular weight of 470.59 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]-2-phenylbenzenesulfonamide is sourced from PubChem (CID 153188468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).