N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide

C24H20FN3O4S — CID 50836629

IUPACN-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc12
InChIInChI=1S/C24H20FN3O4S/c1-15(29)26-18-7-10-20(11-8-18)33(30,31)28-19-9-12-22-21(13-19)24(32-2)14-23(27-22)16-3-5-17(25)6-4-16/h3-14,28H,1-2H3,(H,26,29)
InChIKeyVSFORQASJBRSPR-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide (PubChem CID 50836629) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
PubChem CID50836629
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC NameN-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc12
InChIInChI=1S/C24H20FN3O4S/c1-15(29)26-18-7-10-20(11-8-18)33(30,31)28-19-9-12-22-21(13-19)24(32-2)14-23(27-22)16-3-5-17(25)6-4-16/h3-14,28H,1-2H3,(H,26,29)
InChIKeyVSFORQASJBRSPR-UHFFFAOYSA-N
XLogP4.81
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827540
3-fluoro-N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]benzamide
CID 53113478
1-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3-(3-methylphenyl)urea
CID 50827617
2-(4-fluorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 2439803
1-(5-chloro-2-methylphenyl)-3-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827606
3-cyano-N-[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]benzenesulfonamide
CID 53132361
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
methyl 2-[6-[(3-methoxyphenyl)sulfonylamino]-2-(4-methylphenyl)quinolin-4-yl]oxyacetate
CID 50836547
methyl 2-[2-(4-fluorophenyl)-6-[(2-methoxybenzoyl)amino]quinolin-4-yl]oxyacetate
CID 53113586
N-[4-methoxy-2-(4-methoxyphenyl)quinolin-6-yl]benzamide
CID 53113445
methyl 2-[6-[(3,4-dimethylphenyl)carbamoylamino]-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827642
2-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]quinoline-4-carboxamide
CID 3672707

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide (CID 50836629) is N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide is COc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc12.
What is the InChIKey of N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is VSFORQASJBRSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-15(29)26-18-7-10-20(11-8-18)33(30,31)28-19-9-12-22-21(13-19)24(32-2)14-23(27-22)16-3-5-17(25)6-4-16/h3-14,28H,1-2H3,(H,26,29).
What are the key properties of N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 465.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50836629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).