2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide

C23H24FN3O4S — CID 99951086

IUPAC2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C23H24FN3O4S/c1-26(2)32(29,30)27(22-11-7-6-10-21(22)24)16-23(28)25-19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyXZWOXJSYBOQWHF-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.66
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide

2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 99951086) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID99951086
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1F
InChIInChI=1S/C23H24FN3O4S/c1-26(2)32(29,30)27(22-11-7-6-10-21(22)24)16-23(28)25-19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28)
InChIKeyXZWOXJSYBOQWHF-UHFFFAOYSA-N
XLogP3.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 43899643
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 46771829
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(4-ethoxyphenyl)acetamide
CID 1098100
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
N-(3,4-dimethylphenyl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 53283595
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51343828
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 92685375
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
N-(1,3-benzodioxol-5-yl)-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909035
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99955420
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide (CID 99951086) is 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide is CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1F.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is XZWOXJSYBOQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-26(2)32(29,30)27(22-11-7-6-10-21(22)24)16-23(28)25-19-12-14-20(15-13-19)31-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 99951086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).