1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone

C19H25F3N2O4S — CID 51041587

IUPAC1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
SMILESO=C(CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1
InChIInChI=1S/C19H25F3N2O4S/c20-19(21,22)14-2-1-3-17(12-14)29(26,27)16-6-4-15(5-7-16)23-13-18(25)24-8-10-28-11-9-24/h1-3,12,15-16,23H,4-11,13H2
InChIKeyGIMVGDZYLFAXBQ-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.24
Rot. Bonds5

About 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone

1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone (PubChem CID 51041587) has the molecular formula C19H25F3N2O4S and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
PubChem CID51041587
Molecular FormulaC19H25F3N2O4S
Molecular Weight434.48 g/mol
Exact Mass434.15
IUPAC Name1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone
SMILESO=C(CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1
InChIInChI=1S/C19H25F3N2O4S/c20-19(21,22)14-2-1-3-17(12-14)29(26,27)16-6-4-15(5-7-16)23-13-18(25)24-8-10-28-11-9-24/h1-3,12,15-16,23H,4-11,13H2
InChIKeyGIMVGDZYLFAXBQ-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(Morpholin-4-ylacetyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25185178
N~2~-(Morpholin-4-Ylcarbonyl)-N-[(3s)-1-Phenyl-5-(Phenylsulfonyl)pentan-3-Yl]-L-Leucinamide
CID 23585984
2-(4-fluorophenyl)sulfanyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18169460
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-phenylsulfanylacetamide
CID 17473623
N1-(2-(1-((4-fluoro-3-methylphenyl)sulfonyl)piperidin-2-yl)ethyl)-N2-(2-morpholinoethyl)oxalamide
CID 18574545
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 24981483
N'-cyclohexyl-N-[[3-(4-fluoro-3-methylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]oxamide
CID 4156930
N-cyclohexyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17489420
N-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24883410
N-(oxolan-3-yl)-2-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 25235550
N-tert-butyl-N-methyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]acetamide
CID 51040085
N-cyclohexyl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]methylamino]acetamide
CID 51040515

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone (CID 51041587) is 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone is O=C(CNC1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone?
The InChIKey is GIMVGDZYLFAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O4S/c20-19(21,22)14-2-1-3-17(12-14)29(26,27)16-6-4-15(5-7-16)23-13-18(25)24-8-10-28-11-9-24/h1-3,12,15-16,23H,4-11,13H2.
What are the key properties of 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone?
1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone has a molecular weight of 434.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexyl]amino]ethanone is sourced from PubChem (CID 51041587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).