N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide

C23H25N3O3S — CID 67043845

IUPACN-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C23H25N3O3S/c1-23(2,3)21-15-17(14-20(25-21)19-6-5-13-24-22(19)27)8-7-16-9-11-18(12-10-16)26-30(4,28)29/h5-15,26H,1-4H3,(H,24,27)
InChIKeyJQHAXYZTHBMQKQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds5

About N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide

N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide (PubChem CID 67043845) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide
PubChem CID67043845
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide
SMILESCC(C)(C)c1cc(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)n1
InChIInChI=1S/C23H25N3O3S/c1-23(2,3)21-15-17(14-20(25-21)19-6-5-13-24-22(19)27)8-7-16-9-11-18(12-10-16)26-30(4,28)29/h5-15,26H,1-4H3,(H,24,27)
InChIKeyJQHAXYZTHBMQKQ-UHFFFAOYSA-N
XLogP4.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[2-methoxy-3-(2-methoxypropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67286507
N-[4-[(E)-2-[3,3-dimethyl-7-(2-oxo-1H-pyridin-3-yl)-2H-1-benzofuran-5-yl]ethenyl]phenyl]methanesulfonamide
CID 59156554
N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 90948855
N-[4-[(E)-2-[3-tert-butyl-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 46841025
N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67286614
2-[(E)-2-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoic acid
CID 67070177
N-[4-[(Z)-1-[5-tert-butyl-2-hydroxy-3-(2-oxo-1H-pyridin-3-yl)phenyl]prop-1-en-2-yl]phenyl]methanesulfonamide
CID 67286560
N-[6-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-pyridinyl]methanesulfonamide
CID 67286416
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67427327
N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide
CID 46932283
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 46841292
N-[4-[(E)-2-[6-tert-butyl-3-hydroxy-2-(6-oxocyclohexa-1,3-dien-1-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide
CID 58194937

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide (CID 67043845) is N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide is CC(C)(C)c1cc(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)n1.
What is the InChIKey of N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is JQHAXYZTHBMQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-23(2,3)21-15-17(14-20(25-21)19-6-5-13-24-22(19)27)8-7-16-9-11-18(12-10-16)26-30(4,28)29/h5-15,26H,1-4H3,(H,24,27).
What are the key properties of N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide?
N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67043845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).