N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

C18H26F3N3O5S2 — CID 55939135

IUPACN-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3N3O5S2/c1-3-12-30(26,27)23-14-8-10-24(11-9-14)17(25)13(2)22-31(28,29)16-7-5-4-6-15(16)18(19,20)21/h4-7,13-14,22-23H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyUYDJVLIVRHYFEY-ZDUSSCGKSA-N
MW485.55 g/mol
LogP1.69
Rot. Bonds8

About N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 55939135) has the molecular formula C18H26F3N3O5S2 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID55939135
Molecular FormulaC18H26F3N3O5S2
Molecular Weight485.55 g/mol
Exact Mass485.13
IUPAC NameN-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H26F3N3O5S2/c1-3-12-30(26,27)23-14-8-10-24(11-9-14)17(25)13(2)22-31(28,29)16-7-5-4-6-15(16)18(19,20)21/h4-7,13-14,22-23H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyUYDJVLIVRHYFEY-ZDUSSCGKSA-N
XLogP1.69
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119563131
tert-butyl N-[1-[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]carbamate
CID 55939956
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
ethyl 4-[[(2S)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanoyl]amino]piperidine-1-carboxylate
CID 31339737
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474
N-[(2R)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 51930348
N-[(2S)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55940072
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
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 55939135) is N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UYDJVLIVRHYFEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26F3N3O5S2/c1-3-12-30(26,27)23-14-8-10-24(11-9-14)17(25)13(2)22-31(28,29)16-7-5-4-6-15(16)18(19,20)21/h4-7,13-14,22-23H,3,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 485.55 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).