N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide

C25H26N2O5S — CID 90948855

IUPACN-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCOc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C=O
InChIInChI=1S/C25H26N2O5S/c1-25(2,16-28)22-15-19(21-6-5-13-26-24(21)29)14-18(23(22)32-3)10-7-17-8-11-20(12-9-17)27-33(4,30)31/h5-16,27H,1-4H3,(H,26,29)
InChIKeyJCWDWTRXLIFZKO-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.07
Rot. Bonds8

About N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide

N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide (PubChem CID 90948855) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
PubChem CID90948855
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCOc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C=O
InChIInChI=1S/C25H26N2O5S/c1-25(2,16-28)22-15-19(21-6-5-13-26-24(21)29)14-18(23(22)32-3)10-7-17-8-11-20(12-9-17)27-33(4,30)31/h5-16,27H,1-4H3,(H,26,29)
InChIKeyJCWDWTRXLIFZKO-UHFFFAOYSA-N
XLogP4.07
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-{2-[3-Tert-Butyl-2-Methoxy-5-(2-Oxo-1,2-Dihydropyridin-3-Yl)phenyl]ethyl}phenyl)methanesulfonamide
CID 44624151
N-(4-{(E)-2-[3-Tert-Butyl-2-Methoxy-5-(3-Oxo-2,3-Dihydropyridazin-4-Yl)phenyl]ethenyl}phenyl)methanesulfonamide
CID 46220530
N-{3-[3-Tert-Butyl-2-Methoxy-5-(2-Oxo-1,2-Dihydropyridin-3-Yl)phenyl]-1-Oxo-1h-Isochromen-7-Yl}methanesulfonamide
CID 49822093
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]vinyl]phenyl]methanesulfonamide
CID 44601452
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]vinyl]phenyl]methanesulfonamide
CID 46841026
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(6-oxo-1H-pyrimidin-5-yl)phenyl]vinyl]phenyl]methanesulfonamide
CID 46841159
N-[4-[(E)-2-[3-tert-butyl-5-(2,4-dioxo-1H-pyrimidin-5-yl)-2-methoxy-phenyl]vinyl]phenyl]methanesulfonamide
CID 46841292
N-[4-[(E)-2-[3-(1-chlorocyclopropyl)-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67070006
N-[4-[(E)-2-[2-methoxy-3-(3-methyloxetan-3-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67070061
N-[4-[(E)-2-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxy-phenyl]vinyl]phenyl]methanesulfonamide
CID 67070065
N-[4-[(E)-2-[3-tert-butyl-5-(5-chloro-2-oxo-1H-pyridin-3-yl)-2-methoxy-phenyl]vinyl]phenyl]methanesulfonamide
CID 67070173
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(5-methyl-2-oxo-1H-pyridin-3-yl)phenyl]vinyl]phenyl]methanesulfonamide
CID 67070208

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of 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) is N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide is COc1c(C=Cc2ccc(NS(C)(=O)=O)cc2)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C=O.
What is the InChIKey of N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is JCWDWTRXLIFZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-25(2,16-28)22-15-19(21-6-5-13-26-24(21)29)14-18(23(22)32-3)10-7-17-8-11-20(12-9-17)27-33(4,30)31/h5-16,27H,1-4H3,(H,26,29).
What are the key properties of N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-methoxy-3-(2-methyl-1-oxopropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 90948855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).