N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C20H26F3N3O5S — CID 55938474

IUPACN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26F3N3O5S/c1-14(24-32(29,30)17-5-3-2-4-16(17)20(21,22)23)18(27)25-8-6-15(7-9-25)19(28)26-10-12-31-13-11-26/h2-5,14-15,24H,6-13H2,1H3/t14-/m0/s1
InChIKeyTXHOEZWKSWSITH-AWEZNQCLSA-N
MW477.51 g/mol
LogP1.47
Rot. Bonds5

About N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55938474) has the molecular formula C20H26F3N3O5S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55938474
Molecular FormulaC20H26F3N3O5S
Molecular Weight477.51 g/mol
Exact Mass477.15
IUPAC NameN-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H26F3N3O5S/c1-14(24-32(29,30)17-5-3-2-4-16(17)20(21,22)23)18(27)25-8-6-15(7-9-25)19(28)26-10-12-31-13-11-26/h2-5,14-15,24H,6-13H2,1H3/t14-/m0/s1
InChIKeyTXHOEZWKSWSITH-AWEZNQCLSA-N
XLogP1.47
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55949695
1-[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]pyrrolidine-3-carboxylic acid
CID 119355103
N-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119563131
N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 51930348
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55939135
tert-butyl N-[1-[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]carbamate
CID 55939956
N-[(2S)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55940072
N-[(2S)-1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938300
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-phenylbenzenesulfonamide
CID 86864071
N-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 31279711
N-[1-[2-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119651384
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 55938474) is N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is TXHOEZWKSWSITH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26F3N3O5S/c1-14(24-32(29,30)17-5-3-2-4-16(17)20(21,22)23)18(27)25-8-6-15(7-9-25)19(28)26-10-12-31-13-11-26/h2-5,14-15,24H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 477.51 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55938474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).