N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide

C24H31F3N2O3S — CID 69082798

IUPACN-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31F3N2O3S/c25-24(26,27)20-5-1-2-6-21(20)33(31,32)29-7-3-4-16(15-29)11-22(30)28-23-12-17-8-18(13-23)10-19(9-17)14-23/h1-2,5-6,16-19H,3-4,7-15H2,(H,28,30)
InChIKeyARFREUXQIYGXED-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.58
Rot. Bonds5

About N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide

N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide (PubChem CID 69082798) has the molecular formula C24H31F3N2O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide
PubChem CID69082798
Molecular FormulaC24H31F3N2O3S
Molecular Weight484.58 g/mol
Exact Mass484.20
IUPAC NameN-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H31F3N2O3S/c25-24(26,27)20-5-1-2-6-21(20)33(31,32)29-7-3-4-16(15-29)11-22(30)28-23-12-17-8-18(13-23)10-19(9-17)14-23/h1-2,5-6,16-19H,3-4,7-15H2,(H,28,30)
InChIKeyARFREUXQIYGXED-UHFFFAOYSA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
CID 69085659
N'-[2-[1-(benzenesulfonyl)piperidin-3-yl]acetyl]adamantane-1-carbohydrazide
CID 24959328
[2-(1-adamantyl)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 4830795
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanol
CID 60956912
1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69083036
N-(1-adamantyl)-2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]acetamide
CID 42635220
1-(1-adamantyl)-3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69084505
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
(1R)-1-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine
CID 124553883
(3R,4S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 79410488
[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 43605303
3-bromo-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 80667317

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide (CID 69082798) is N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide is O=C(CC1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide?
The InChIKey is ARFREUXQIYGXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O3S/c25-24(26,27)20-5-1-2-6-21(20)33(31,32)29-7-3-4-16(15-29)11-22(30)28-23-12-17-8-18(13-23)10-19(9-17)14-23/h1-2,5-6,16-19H,3-4,7-15H2,(H,28,30).
What are the key properties of N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide?
N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 69082798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).