2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide

C18H25NO4S — CID 47091971

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H25NO4S/c1-24(21,22)8-7-23-17-4-2-3-16(12-17)19-18(20)11-15-10-13-5-6-14(15)9-13/h2-4,12-15H,5-11H2,1H3,(H,19,20)
InChIKeyMYXLULYFWMYPMZ-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.87
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide (PubChem CID 47091971) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide
PubChem CID47091971
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)CC2CC3CCC2C3)c1
InChIInChI=1S/C18H25NO4S/c1-24(21,22)8-7-23-17-4-2-3-16(12-17)19-18(20)11-15-10-13-5-6-14(15)9-13/h2-4,12-15H,5-11H2,1H3,(H,19,20)
InChIKeyMYXLULYFWMYPMZ-UHFFFAOYSA-N
XLogP2.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 98600366
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 11936521
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-methylsulfanylphenyl)acetamide
CID 11918482
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 11938722
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 21175305
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18558224
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11923720
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(methylaminomethyl)phenyl]acetamide
CID 43601980
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 98545136
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-naphthalen-2-ylacetamide
CID 23307105

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide (CID 47091971) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide is CS(=O)(=O)CCOc1cccc(NC(=O)CC2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide?
The InChIKey is MYXLULYFWMYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-24(21,22)8-7-23-17-4-2-3-16(12-17)19-18(20)11-15-10-13-5-6-14(15)9-13/h2-4,12-15H,5-11H2,1H3,(H,19,20).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[3-(2-methylsulfonylethoxy)phenyl]acetamide is sourced from PubChem (CID 47091971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).