N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

C17H24FN3O3S — CID 99131122

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F
InChIInChI=1S/C17H24FN3O3S/c1-20(2)25(23,24)21(16-6-4-3-5-14(16)18)11-17(22)19-15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t12-,13-,15+/m1/s1
InChIKeyAINDASDUSSAWRM-NFAWXSAZSA-N
MW369.46 g/mol
LogP1.74
Rot. Bonds6

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (PubChem CID 99131122) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
PubChem CID99131122
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F
InChIInChI=1S/C17H24FN3O3S/c1-20(2)25(23,24)21(16-6-4-3-5-14(16)18)11-17(22)19-15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t12-,13-,15+/m1/s1
InChIKeyAINDASDUSSAWRM-NFAWXSAZSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide with MolForge

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Related Compounds

N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 124832538
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2951263
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 6959125
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 6974295
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2892492
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetamide
CID 1263998
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21213993
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 6547549
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98168412
N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
CID 133199747
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 22193763

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide (CID 99131122) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1F.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
The InChIKey is AINDASDUSSAWRM-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-20(2)25(23,24)21(16-6-4-3-5-14(16)18)11-17(22)19-15-10-12-7-8-13(15)9-12/h3-6,12-13,15H,7-11H2,1-2H3,(H,19,22)/t12-,13-,15+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide has a molecular weight of 369.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide is sourced from PubChem (CID 99131122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).