N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide

C22H20F2N2O4S — CID 166215260

IUPACN-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)ccc1C
InChIInChI=1S/C22H20F2N2O4S/c1-14-7-9-17(12-20(14)26-15(2)27)31(28,29)25-13-16-8-10-22(19(24)11-16)30-21-6-4-3-5-18(21)23/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyKAWFDJVVVDJGQC-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.50
Rot. Bonds7

About N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide

N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide (PubChem CID 166215260) has the molecular formula C22H20F2N2O4S and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide
PubChem CID166215260
Molecular FormulaC22H20F2N2O4S
Molecular Weight446.48 g/mol
Exact Mass446.11
IUPAC NameN-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)ccc1C
InChIInChI=1S/C22H20F2N2O4S/c1-14-7-9-17(12-20(14)26-15(2)27)31(28,29)25-13-16-8-10-22(19(24)11-16)30-21-6-4-3-5-18(21)23/h3-12,25H,13H2,1-2H3,(H,26,27)
InChIKeyKAWFDJVVVDJGQC-UHFFFAOYSA-N
XLogP4.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[(6-methoxynaphthalen-2-yl)methylsulfamoyl]phenyl]acetamide
CID 46696333
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508
methyl 3-[(3-fluoro-4-methylphenyl)methylsulfamoyl]benzoate
CID 31770306
N-(2,5-dimethylphenyl)-2-fluoro-5-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 3476916
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
5-(benzylsulfamoyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylbenzamide
CID 33305075
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119960343
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide (CID 166215260) is N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)ccc1C.
What is the InChIKey of N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide?
The InChIKey is KAWFDJVVVDJGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O4S/c1-14-7-9-17(12-20(14)26-15(2)27)31(28,29)25-13-16-8-10-22(19(24)11-16)30-21-6-4-3-5-18(21)23/h3-12,25H,13H2,1-2H3,(H,26,27).
What are the key properties of N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide?
N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide has a molecular weight of 446.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 166215260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).