N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide

C25H28N2O4S — CID 163782057

IUPACN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(C)cc2C)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C25H28N2O4S/c1-7-19-13-20(15-27(6)25(19)28)22-14-21(26-32(29,30)8-2)9-10-23(22)31-24-17(4)11-16(3)12-18(24)5/h8-15,26H,2,7H2,1,3-6H3
InChIKeyPFJQZRYPZVANCB-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.22
Rot. Bonds7

About N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide (PubChem CID 163782057) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
PubChem CID163782057
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(C)cc2C)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C25H28N2O4S/c1-7-19-13-20(15-27(6)25(19)28)22-14-21(26-32(29,30)8-2)9-10-23(22)31-24-17(4)11-16(3)12-18(24)5/h8-15,26H,2,7H2,1,3-6H3
InChIKeyPFJQZRYPZVANCB-UHFFFAOYSA-N
XLogP5.22
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.22
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-methylphenoxy)phenyl]ethenesulfonamide
CID 162120668
5-[5-(ethenylsulfonylamino)-2-(2,4,6-trimethylphenoxy)phenyl]-N-ethyl-1-methyl-2-oxopyridine-3-carboxamide
CID 163873125
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
CID 160859383
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-fluoro-4-methylcyclohexyl)oxyphenyl]ethenesulfonamide
CID 163760305
N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-6-oxo-5-(2-oxopropyl)-3-pyridinyl]phenyl]ethenesulfonamide
CID 163760302
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
CID 146575864
N-[3-(2-methyl-1-oxoisoquinolin-4-yl)-4-[(2,4,6-trimethylphenyl)methyl]phenyl]ethenesulfonamide
CID 163939863
N-[4-(2,6-dimethylphenoxy)-3-(7-ethyl-2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-enamide;N-[4-(2,6-dimethylphenoxy)-3-[2-methyl-7-(2-methylprop-2-enyl)-1-oxoisoquinolin-4-yl]phenyl]prop-2-enamide;N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(N,2,6-trimethylanilino)phenyl]ethenesulfonamide;N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(N,2,6-trimethylanilino)phenyl]prop-2-enamide;N-[3-(2-methyl-1-oxoisoquinolin-4-yl)-4-(N,2,6-trimethylanilino)phenyl]prop-2-enamide
CID 163892059
6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 146575621
N-[4-cyclopropyloxy-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethenesulfonamide
CID 146575873

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide?
The IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide (CID 163782057) is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide?
The canonical SMILES for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(C)cc2C)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-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide?
The InChIKey is PFJQZRYPZVANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-7-19-13-20(15-27(6)25(19)28)22-14-21(26-32(29,30)8-2)9-10-23(22)31-24-17(4)11-16(3)12-18(24)5/h8-15,26H,2,7H2,1,3-6H3.
What are the key properties of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide?
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 5.22, 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-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide is sourced from PubChem (CID 163782057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).