(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

C21H22F3NO2S — CID 56763890

IUPAC(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22F3NO2S/c22-21(23,24)16-7-5-15(6-8-16)17-14-25(11-12-27-17)19(26)20(9-1-2-10-20)18-4-3-13-28-18/h3-8,13,17H,1-2,9-12,14H2
InChIKeyQISFMNVMEVMBQS-UHFFFAOYSA-N
MW409.47 g/mol
LogP5.18
Rot. Bonds3

About (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone

(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (PubChem CID 56763890) has the molecular formula C21H22F3NO2S and a molecular weight of 409.47 g/mol. Its IUPAC name is (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
PubChem CID56763890
Molecular FormulaC21H22F3NO2S
Molecular Weight409.47 g/mol
Exact Mass409.13
IUPAC Name(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone
SMILESO=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H22F3NO2S/c22-21(23,24)16-7-5-15(6-8-16)17-14-25(11-12-27-17)19(26)20(9-1-2-10-20)18-4-3-13-28-18/h3-8,13,17H,1-2,9-12,14H2
InChIKeyQISFMNVMEVMBQS-UHFFFAOYSA-N
XLogP5.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.47
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Thienyl(3-{[4-(trifluoromethyl)benzyl]oxy}piperidino)methanone
CID 46028660
[3-[(2,3-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028967
[3-[(3,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028994
[3-[(2,5-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46029051
1-(4-{2-[(3-Fluorobenzyl)oxy]ethyl}piperidino)-2-(2-thienyl)-1-ethanone
CID 53150621
2-((4-Fluorophenyl)thio)-1-(2-(4-(trifluoromethyl)phenyl)morpholino)ethanone
CID 56763888
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
N-(3-(2-phenylmorpholino)propyl)-2-(thiophen-2-yl)acetamide
CID 16892518
[3-[(2,4-Difluorophenyl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 46028859
Thiophen-2-yl-[3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 46028938
1-{4-[2-(4-Chlorophenyl)-2-{[4-(trifluoromethyl)phenyl]methoxy}ethyl]piperazin-1-YL}-2-(thiophen-2-YL)ethan-1-one
CID 46092440
(4-Methylthiophen-2-yl)(2-(4-(trifluoromethyl)phenyl)morpholino)methanone
CID 56763870

Frequently Asked Questions

What is the IUPAC name of (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The IUPAC name of (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone (CID 56763890) is (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone.
What is the SMILES notation for (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The canonical SMILES for (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is O=C(N1CCOC(c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
The InChIKey is QISFMNVMEVMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2S/c22-21(23,24)16-7-5-15(6-8-16)17-14-25(11-12-27-17)19(26)20(9-1-2-10-20)18-4-3-13-28-18/h3-8,13,17H,1-2,9-12,14H2.
What are the key properties of (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone?
(1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone has a molecular weight of 409.47 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylcyclopentyl)-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]methanone is sourced from PubChem (CID 56763890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).