6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide

C24H25FN4O5S — CID 146575621

IUPAC6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)n2)c1
InChIInChI=1S/C24H25FN4O5S/c1-6-26-23(30)19-13-20(27-29(5)24(19)31)18-12-17(28-35(32,33)7-2)8-9-21(18)34-22-14(3)10-16(25)11-15(22)4/h7-13,28H,2,6H2,1,3-5H3,(H,26,30)
InChIKeyUDIBLCVRHHDUGB-UHFFFAOYSA-N
MW500.55 g/mol
LogP3.63
Rot. Bonds8

About 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide

6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 146575621) has the molecular formula C24H25FN4O5S and a molecular weight of 500.55 g/mol. Its IUPAC name is 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
PubChem CID146575621
Molecular FormulaC24H25FN4O5S
Molecular Weight500.55 g/mol
Exact Mass500.15
IUPAC Name6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
SMILESC=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)n2)c1
InChIInChI=1S/C24H25FN4O5S/c1-6-26-23(30)19-13-20(27-29(5)24(19)31)18-12-17(28-35(32,33)7-2)8-9-21(18)34-22-14(3)10-16(25)11-15(22)4/h7-13,28H,2,6H2,1,3-5H3,(H,26,30)
InChIKeyUDIBLCVRHHDUGB-UHFFFAOYSA-N
XLogP3.63
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(ethenylsulfonylamino)-2-(2,4,6-trimethylphenoxy)phenyl]-N-ethyl-1-methyl-2-oxopyridine-3-carboxamide
CID 163873125
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
CID 163782057
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]ethenesulfonamide
CID 146575542
4-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylanilino)phenyl]-N-ethyl-6-methyl-7-oxofuro[2,3-c]pyridine-2-carboxamide
CID 146575638
N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-6-oxo-5-(2-oxopropyl)-3-pyridinyl]phenyl]ethenesulfonamide
CID 163760302
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-(4-fluoro-2,6-dimethylphenoxy)-2-[1-methyl-5-(methylamino)-6-oxopyridazin-3-yl]phenyl]prop-2-enamide
CID 146575451
4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonylamino)phenyl]-N-ethyl-7-oxo-6-prop-2-enoylthieno[2,3-c]pyridine-2-carboxamide
CID 146575507
N-[4-(4-fluoro-2,6-dimethylphenoxy)-3-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)phenyl]prop-2-enamide
CID 146575937
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
CID 162120668
N-[3-(7-cyano-2-methyl-1-oxoisoquinolin-4-yl)-4-(2,4-difluorophenoxy)phenyl]ethenesulfonamide
CID 146575843

Frequently Asked Questions

What is the IUPAC name of 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide (CID 146575621) is 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide is C=CS(=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)n2)c1.
What is the InChIKey of 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide?
The InChIKey is UDIBLCVRHHDUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O5S/c1-6-26-23(30)19-13-20(27-29(5)24(19)31)18-12-17(28-35(32,33)7-2)8-9-21(18)34-22-14(3)10-16(25)11-15(22)4/h7-13,28H,2,6H2,1,3-5H3,(H,26,30).
What are the key properties of 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide?
6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 146575621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).