N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C19H20F3NO2S — CID 56765456

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)14-7-5-13(6-8-14)15(24)12-23-17(25)18(9-1-2-10-18)16-4-3-11-26-16/h3-8,11,15,24H,1-2,9-10,12H2,(H,23,25)
InChIKeyWLWFVVRLFTUUQF-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.43
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 56765456) has the molecular formula C19H20F3NO2S and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID56765456
Molecular FormulaC19H20F3NO2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2cccs2)CCCC1
InChIInChI=1S/C19H20F3NO2S/c20-19(21,22)14-7-5-13(6-8-14)15(24)12-23-17(25)18(9-1-2-10-18)16-4-3-11-26-16/h3-8,11,15,24H,1-2,9-10,12H2,(H,23,25)
InChIKeyWLWFVVRLFTUUQF-UHFFFAOYSA-N
XLogP4.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(Thiophen-2-yl)cyclopentyl)(2-(4-(trifluoromethyl)phenyl)morpholino)methanone
CID 56763890
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-4-methylthiophene-2-carboxamide
CID 56765427
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
1-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)cyclopropanecarboxamide
CID 71782447
2-(cyclopentylthio)-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)acetamide
CID 71806359
N-[2-methoxy-2-(thiophen-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717946
2-(thiophen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 76147682
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 76147816
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-(4-fluorophenyl)cyclopropanecarboxamide
CID 91630852
N-[(R)-2-hydroxy-2-[p-(trifluoromethyl)phenyl]ethyl][p-(isopropylthio)phenyl]acetamide
CID 95368215

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 56765456) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2cccs2)CCCC1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is WLWFVVRLFTUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO2S/c20-19(21,22)14-7-5-13(6-8-14)15(24)12-23-17(25)18(9-1-2-10-18)16-4-3-11-26-16/h3-8,11,15,24H,1-2,9-10,12H2,(H,23,25).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 56765456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).