2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide

C15H24FN3O3S — CID 92664046

IUPAC2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C15H24FN3O3S/c1-5-6-12(2)17-15(20)11-19(23(21,22)18(3)4)14-9-7-13(16)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyWSEIKJWQKJWPIU-GFCCVEGCSA-N
MW345.44 g/mol
LogP1.74
Rot. Bonds8

About 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide

2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 92664046) has the molecular formula C15H24FN3O3S and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide
PubChem CID92664046
Molecular FormulaC15H24FN3O3S
Molecular Weight345.44 g/mol
Exact Mass345.15
IUPAC Name2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C
InChIInChI=1S/C15H24FN3O3S/c1-5-6-12(2)17-15(20)11-19(23(21,22)18(3)4)14-9-7-13(16)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyWSEIKJWQKJWPIU-GFCCVEGCSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-pentan-2-ylacetamide
CID 21372246
2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126346344
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126415763
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92663731
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]amino]acetamide
CID 9253582
N-(3,4-difluorophenyl)-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 53283271
N-cycloheptyl-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 46364516
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
(2S)-N-[(2R)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 125093052
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide (CID 92664046) is 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is WSEIKJWQKJWPIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24FN3O3S/c1-5-6-12(2)17-15(20)11-19(23(21,22)18(3)4)14-9-7-13(16)8-10-14/h7-10,12H,5-6,11H2,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide?
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 92664046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).