N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide

C23H29F3N2O3S — CID 69085659

IUPACN-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-1-3-20(4-2-19)32(30,31)28-6-5-15(14-28)10-21(29)27-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-4,15-18H,5-14H2,(H,27,29)
InChIKeyGNNFYPOMWSMULI-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.19
Rot. Bonds5

About N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide

N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 69085659) has the molecular formula C23H29F3N2O3S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
PubChem CID69085659
Molecular FormulaC23H29F3N2O3S
Molecular Weight470.56 g/mol
Exact Mass470.19
IUPAC NameN-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide
SMILESO=C(CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H29F3N2O3S/c24-23(25,26)19-1-3-20(4-2-19)32(30,31)28-6-5-15(14-28)10-21(29)27-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-4,15-18H,5-14H2,(H,27,29)
InChIKeyGNNFYPOMWSMULI-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-3-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69083036
N-(1-adamantyl)-2-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]acetamide
CID 69082798
1-(1-adamantyl)-3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]urea
CID 69084505
(2S)-N-(1-adamantyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 25479743
N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2927302
N-[[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]adamantane-1-carboxamide
CID 42634341
1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
N-hydroxy-4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]butanamide
CID 57390847
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
1-(1-adamantyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]urea
CID 42633447
N'-[2-[1-(benzenesulfonyl)piperidin-3-yl]acetyl]adamantane-1-carbohydrazide
CID 24959328

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide (CID 69085659) is N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide is O=C(CC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is GNNFYPOMWSMULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O3S/c24-23(25,26)19-1-3-20(4-2-19)32(30,31)28-6-5-15(14-28)10-21(29)27-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-4,15-18H,5-14H2,(H,27,29).
What are the key properties of N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide?
N-(1-adamantyl)-2-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 470.56 g/mol, XLogP of 4.19, 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-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 69085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).