2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide

C17H26F3N5O3S — CID 89483486

IUPAC2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
SMILESCN(C(=O)C(F)(F)F)C1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1
InChIInChI=1S/C17H26F3N5O3S/c1-22-12-14(21-13-22)29(27,28)25-10-8-24(9-11-25)16(6-4-3-5-7-16)23(2)15(26)17(18,19)20/h12-13H,3-11H2,1-2H3
InChIKeyXPKVGUBNHWSEBF-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.41
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide

2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide (PubChem CID 89483486) has the molecular formula C17H26F3N5O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
PubChem CID89483486
Molecular FormulaC17H26F3N5O3S
Molecular Weight437.49 g/mol
Exact Mass437.17
IUPAC Name2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide
SMILESCN(C(=O)C(F)(F)F)C1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1
InChIInChI=1S/C17H26F3N5O3S/c1-22-12-14(21-13-22)29(27,28)25-10-8-24(9-11-25)16(6-4-3-5-7-16)23(2)15(26)17(18,19)20/h12-13H,3-11H2,1-2H3
InChIKeyXPKVGUBNHWSEBF-UHFFFAOYSA-N
XLogP1.41
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,4S)-4-fluoro-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875946
N-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-4-YL}-N-(oxan-4-YL)propanamide
CID 91906140
4-methyl-1-{1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-yl}-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 122160346
2,2,2-trifluoro-N-[[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]methyl]acetamide
CID 58561649
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 56227356
[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 56229788
N-(2,2-difluoroethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 56241425
1-ethyl-N-[6-(trifluoromethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 82794648
1-((1-methyl-1H-imidazol-4-yl)sulfonyl)-2-(trifluoromethyl)piperidine
CID 92092718
1-((1-isopropyl-1H-imidazol-4-yl)sulfonyl)-2-(trifluoromethyl)piperidine
CID 92092748
1-((1-ethyl-2-methyl-1H-imidazol-4-yl)sulfonyl)-2-(trifluoromethyl)piperidine
CID 92092757
1-((1,2-dimethyl-1H-imidazol-4-yl)sulfonyl)-2-(trifluoromethyl)piperidine
CID 92092766

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide (CID 89483486) is 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide is CN(C(=O)C(F)(F)F)C1(N2CCN(S(=O)(=O)c3cn(C)cn3)CC2)CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide?
The InChIKey is XPKVGUBNHWSEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O3S/c1-22-12-14(21-13-22)29(27,28)25-10-8-24(9-11-25)16(6-4-3-5-7-16)23(2)15(26)17(18,19)20/h12-13H,3-11H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide has a molecular weight of 437.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[1-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]cyclohexyl]acetamide is sourced from PubChem (CID 89483486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).