N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide

C23H24N2O4S — CID 162120668

IUPACN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2cccc(C)c2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C23H24N2O4S/c1-5-17-13-18(15-25(4)23(17)26)21-14-19(24-30(27,28)6-2)10-11-22(21)29-20-9-7-8-16(3)12-20/h6-15,24H,2,5H2,1,3-4H3
InChIKeyZHJBFJFRUCHBCH-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.60
Rot. Bonds7

About N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide (PubChem CID 162120668) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
PubChem CID162120668
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2cccc(C)c2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C23H24N2O4S/c1-5-17-13-18(15-25(4)23(17)26)21-14-19(24-30(27,28)6-2)10-11-22(21)29-20-9-7-8-16(3)12-20/h6-15,24H,2,5H2,1,3-4H3
InChIKeyZHJBFJFRUCHBCH-UHFFFAOYSA-N
XLogP4.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-ethylphenoxy)phenyl]ethenesulfonamide
CID 163760303
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
CID 160859383
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-6-oxo-5-(2-oxopropyl)-3-pyridinyl]phenyl]ethenesulfonamide
CID 163760302
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
CID 163760305
5-[5-(ethenylsulfonylamino)-2-(2,4,6-trimethylphenoxy)phenyl]-N-ethyl-1-methyl-2-oxopyridine-3-carboxamide
CID 163873125
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
CID 146575864
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-(4-methylanilino)phenyl]ethenesulfonamide
CID 146575652
N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide
CID 163576375
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)-4-[(2,4,6-trimethylphenyl)methyl]phenyl]ethenesulfonamide
CID 163939863
N-[3-(1-methyl-6-oxo-3-pyridinyl)-4-phenoxyphenyl]methanesulfonamide
CID 90032034

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide?
The IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide (CID 162120668) is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide?
The canonical SMILES for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Oc2cccc(C)c2)c(-c2cc(CC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide?
The InChIKey is ZHJBFJFRUCHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-5-17-13-18(15-25(4)23(17)26)21-14-19(24-30(27,28)6-2)10-11-22(21)29-20-9-7-8-16(3)12-20/h6-15,24H,2,5H2,1,3-4H3.
What are the key properties of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide?
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide has a molecular weight of 424.52 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide is sourced from PubChem (CID 162120668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).