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

C22H21FN2O4S — CID 160859383

IUPACN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H21FN2O4S/c1-4-15-12-16(14-25(3)22(15)26)20-13-18(24-30(27,28)5-2)8-11-21(20)29-19-9-6-17(23)7-10-19/h5-14,24H,2,4H2,1,3H3
InChIKeyUHHMMUWXDJIOFD-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.43
Rot. Bonds7

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

N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide (PubChem CID 160859383) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
PubChem CID160859383
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C22H21FN2O4S/c1-4-15-12-16(14-25(3)22(15)26)20-13-18(24-30(27,28)5-2)8-11-21(20)29-19-9-6-17(23)7-10-19/h5-14,24H,2,4H2,1,3H3
InChIKeyUHHMMUWXDJIOFD-UHFFFAOYSA-N
XLogP4.43
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-methylphenoxy)phenyl]ethenesulfonamide
CID 162120668
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-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
CID 163782057
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
N-[4-(4-fluorophenoxy)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
CID 146524990
N-[3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-4-propan-2-yloxyphenyl]ethenesulfonamide
CID 146575864
5-[5-(ethenylsulfonylamino)-2-(2,4,6-trimethylphenoxy)phenyl]-N-ethyl-1-methyl-2-oxopyridine-3-carboxamide
CID 163873125
N-[3-(7-cyano-2-methyl-1-oxoisoquinolin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethenesulfonamide
CID 146575843
N-[4-(2,4-difluorophenoxy)-3-(5-methoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]methanesulfonamide
CID 118021474
N-[3-(7-cyclopropyl-2-methyl-1-oxoisoquinolin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethenesulfonamide
CID 146575430

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide?
The IUPAC name of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide (CID 160859383) is N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide.
What is the SMILES notation for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide?
The canonical SMILES for N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)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-(4-fluorophenoxy)phenyl]ethenesulfonamide?
The InChIKey is UHHMMUWXDJIOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-4-15-12-16(14-25(3)22(15)26)20-13-18(24-30(27,28)5-2)8-11-21(20)29-19-9-6-17(23)7-10-19/h5-14,24H,2,4H2,1,3H3.
What are the key properties of N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide?
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide has a molecular weight of 428.49 g/mol, XLogP of 4.43, 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-(4-fluorophenoxy)phenyl]ethenesulfonamide is sourced from PubChem (CID 160859383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).