N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide

C17H23FN2O3S — CID 133199747

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)Cc1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20(10-14-4-2-3-5-15(14)18)11-17(21)19-16-9-12-6-7-13(16)8-12/h2-5,12-13,16H,6-11H2,1H3,(H,19,21)
InChIKeyBWTXWTXRLQOULM-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.89
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide

N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 133199747) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID133199747
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)Cc1ccccc1F
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20(10-14-4-2-3-5-15(14)18)11-17(21)19-16-9-12-6-7-13(16)8-12/h2-5,12-13,16H,6-11H2,1H3,(H,19,21)
InChIKeyBWTXWTXRLQOULM-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 125057680
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 6974295
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 99131122
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 124832538
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 124833793
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 2951263
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113150969
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 100557424
N-(2-bicyclo[2.2.1]heptanyl)-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 2892492
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 23231964
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 154808462
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide (CID 133199747) is N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)NC1CC2CCC1C2)Cc1ccccc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is BWTXWTXRLQOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-24(22,23)20(10-14-4-2-3-5-15(14)18)11-17(21)19-16-9-12-6-7-13(16)8-12/h2-5,12-13,16H,6-11H2,1H3,(H,19,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 133199747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).