5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide

C24H32F4N2O2S — CID 144850164

IUPAC5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide
SMILESCSNC(=O)c1cc(C2CC2)c(OCC2CCN(CC3(C(F)(F)F)CCCC3)CC2)cc1F
InChIInChI=1S/C24H32F4N2O2S/c1-33-29-22(31)19-12-18(17-4-5-17)21(13-20(19)25)32-14-16-6-10-30(11-7-16)15-23(24(26,27)28)8-2-3-9-23/h12-13,16-17H,2-11,14-15H2,1H3,(H,29,31)
InChIKeyIALBANVZXWWFRD-UHFFFAOYSA-N
MW488.59 g/mol
LogP5.92
Rot. Bonds8

About 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide

5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide (PubChem CID 144850164) has the molecular formula C24H32F4N2O2S and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide
PubChem CID144850164
Molecular FormulaC24H32F4N2O2S
Molecular Weight488.59 g/mol
Exact Mass488.21
IUPAC Name5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide
SMILESCSNC(=O)c1cc(C2CC2)c(OCC2CCN(CC3(C(F)(F)F)CCCC3)CC2)cc1F
InChIInChI=1S/C24H32F4N2O2S/c1-33-29-22(31)19-12-18(17-4-5-17)21(13-20(19)25)32-14-16-6-10-30(11-7-16)15-23(24(26,27)28)8-2-3-9-23/h12-13,16-17H,2-11,14-15H2,1H3,(H,29,31)
InChIKeyIALBANVZXWWFRD-UHFFFAOYSA-N
XLogP5.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-cyclopropyl-2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzoate
CID 118110490
[[5-cyclopropyl-2-fluoro-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzoyl]-methylsulfonylamino] 2,2,2-trifluoroacetate
CID 141450870
5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]benzamide
CID 144849863
4-[[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfanylbenzamide
CID 144849968
4-[[1-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfanylbenzamide
CID 144850252
5-cyclopropyl-4-[[1-[1-(2,4-dichlorophenyl)-2-methoxyethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfanylbenzamide;ethane
CID 144850656
4-[[1-(4-bromo-3-chloro-N-hydroxyanilino)sulfanylpiperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfanylbenzamide
CID 144850037
1-[5-cyclopropyl-2-fluoro-4-[[1-(trifluoromethyl)cyclohexyl]methoxy]phenyl]ethanone
CID 123283046
N-(azetidin-1-ylsulfonyl)-5-cyclopropyl-4-[(4,4-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
CID 86703498
5-cyclopropyl-2-fluoro-4-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-N'-hydroxy-N'-methylsulfanylbenzohydrazide
CID 144850376
5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfanylbenzamide;5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methoxy]benzamide;cyclopropylmethanol
CID 144850214
2-fluoro-4-[4-[[1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidin-4-yl]methoxy]phenyl]benzoic acid
CID 90018213

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide (CID 144850164) is 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide is CSNC(=O)c1cc(C2CC2)c(OCC2CCN(CC3(C(F)(F)F)CCCC3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide?
The InChIKey is IALBANVZXWWFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F4N2O2S/c1-33-29-22(31)19-12-18(17-4-5-17)21(13-20(19)25)32-14-16-6-10-30(11-7-16)15-23(24(26,27)28)8-2-3-9-23/h12-13,16-17H,2-11,14-15H2,1H3,(H,29,31).
What are the key properties of 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide?
5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide has a molecular weight of 488.59 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-methylsulfanyl-4-[[1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidin-4-yl]methoxy]benzamide is sourced from PubChem (CID 144850164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).