N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide

C26H30N2O5S — CID 160904517

IUPACN-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCOC1=NC=C(c2cc(/C=C/c3ccc(NS(C)(=O)=O)cc3)c(OC)c(C(C)(C)C)c2)C(=O)C1
InChIInChI=1S/C26H30N2O5S/c1-26(2,3)22-14-19(21-16-27-24(32-4)15-23(21)29)13-18(25(22)33-5)10-7-17-8-11-20(12-9-17)28-34(6,30)31/h7-14,16,28H,15H2,1-6H3/b10-7+
InChIKeySPYLLSMHUXDJDA-JXMROGBWSA-N
MW482.60 g/mol
LogP4.89
Rot. Bonds6

About N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide

N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide (PubChem CID 160904517) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide
PubChem CID160904517
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC NameN-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide
SMILESCOC1=NC=C(c2cc(/C=C/c3ccc(NS(C)(=O)=O)cc3)c(OC)c(C(C)(C)C)c2)C(=O)C1
InChIInChI=1S/C26H30N2O5S/c1-26(2,3)22-14-19(21-16-27-24(32-4)15-23(21)29)13-18(25(22)33-5)10-7-17-8-11-20(12-9-17)28-34(6,30)31/h7-14,16,28H,15H2,1-6H3/b10-7+
InChIKeySPYLLSMHUXDJDA-JXMROGBWSA-N
XLogP4.89
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67427327
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-[3-tert-butyl-5-(5-fluoro-2-oxo-1H-pyridin-3-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67070065
N-[4-[(E)-2-[5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-tert-butyl-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 66833874
N-[4-[2-[3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methoxy-5-(2-oxo-1H-pyrazin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 123751692
N-[4-[(E)-2-[3-tert-butyl-5-[1-(chloromethyl)-5-fluoro-2-oxo-3-pyridinyl]-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 67288522
N-[4-[2-[2-methoxy-3-(2-methoxypropan-2-yl)-5-(2-oxo-1H-pyridin-3-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 67286507
CID 67066265
CID 67066265
N-[4-[2-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide;hydrate
CID 67066554
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(4-phenylmethoxypyrimidin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide
CID 72713010
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-[2-(5-bromo-3-tert-butyl-2-methoxyphenyl)ethenyl]phenyl]ethanesulfonamide
CID 77259945

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide (CID 160904517) is N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide is COC1=NC=C(c2cc(/C=C/c3ccc(NS(C)(=O)=O)cc3)c(OC)c(C(C)(C)C)c2)C(=O)C1.
What is the InChIKey of N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
The InChIKey is SPYLLSMHUXDJDA-JXMROGBWSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-26(2,3)22-14-19(21-16-27-24(32-4)15-23(21)29)13-18(25(22)33-5)10-7-17-8-11-20(12-9-17)28-34(6,30)31/h7-14,16,28H,15H2,1-6H3/b10-7+.
What are the key properties of N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide?
N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide has a molecular weight of 482.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[3-tert-butyl-2-methoxy-5-(2-methoxy-4-oxo-3H-pyridin-5-yl)phenyl]ethenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 160904517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).