N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide

C24H24N2O4S — CID 67286614

IUPACN-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C=Cc2cc(-c3ccc[nH]c3=O)cc(C3(CO)CC3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-31(29,30)26-21-8-6-17(7-9-21)4-5-18-13-19(22-3-2-12-25-23(22)28)15-20(14-18)24(16-27)10-11-24/h2-9,12-15,26-27H,10-11,16H2,1H3,(H,25,28)
InChIKeyCGZLEFOSZUEHLJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.61
Rot. Bonds7

About N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide

N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide (PubChem CID 67286614) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
PubChem CID67286614
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC NameN-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C=Cc2cc(-c3ccc[nH]c3=O)cc(C3(CO)CC3)c2)cc1
InChIInChI=1S/C24H24N2O4S/c1-31(29,30)26-21-8-6-17(7-9-21)4-5-18-13-19(22-3-2-12-25-23(22)28)15-20(14-18)24(16-27)10-11-24/h2-9,12-15,26-27H,10-11,16H2,1H3,(H,25,28)
InChIKeyCGZLEFOSZUEHLJ-UHFFFAOYSA-N
XLogP3.61
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-2-[3,3-dimethyl-7-(2-oxo-1H-pyridin-3-yl)-2H-1-benzofuran-5-yl]ethenyl]phenyl]methanesulfonamide
CID 59156554
2-[(E)-2-[3-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)benzoic acid
CID 67070177
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-[2-[2-tert-butyl-6-(2-oxo-1H-pyridin-3-yl)-4-pyridinyl]ethenyl]phenyl]methanesulfonamide
CID 67043845
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
3-[3-bromo-5-(1-chlorocyclopropyl)-4-methoxyphenyl]-1H-pyridin-2-one;N-[4-[(E)-2-[2-methoxy-3-(1-methoxycyclopropyl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 158225886
N-[4-[(E)-2-[3-tert-butyl-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 46841025
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
3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]-2-[4-(methanesulfonamido)phenyl]propanamide
CID 67070103
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-3-(methoxymethyl)phenyl]methanesulfonamide
CID 67070259
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]-1-cyanoethenyl]phenyl]methanesulfonamide
CID 67286492
N-[[2-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]-5-(methanesulfonamido)phenyl]methyl]acetamide
CID 67069968

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide (CID 67286614) is N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C=Cc2cc(-c3ccc[nH]c3=O)cc(C3(CO)CC3)c2)cc1.
What is the InChIKey of N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is CGZLEFOSZUEHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-31(29,30)26-21-8-6-17(7-9-21)4-5-18-13-19(22-3-2-12-25-23(22)28)15-20(14-18)24(16-27)10-11-24/h2-9,12-15,26-27H,10-11,16H2,1H3,(H,25,28).
What are the key properties of N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 436.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-[1-(hydroxymethyl)cyclopropyl]-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 67286614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).