N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide

C22H21F3N2O2S — CID 93126935

IUPACN-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)16-7-11-18(12-8-16)27-19(28)13-30-21(27)15-5-9-17(10-6-15)26-20(29)14-3-1-2-4-14/h5-12,14,21H,1-4,13H2,(H,26,29)/t21-/m1/s1
InChIKeySNIYWZZZJOCLRC-OAQYLSRUSA-N
MW434.48 g/mol
LogP5.61
Rot. Bonds4

About N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide

N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide (PubChem CID 93126935) has the molecular formula C22H21F3N2O2S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
PubChem CID93126935
Molecular FormulaC22H21F3N2O2S
Molecular Weight434.48 g/mol
Exact Mass434.13
IUPAC NameN-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1
InChIInChI=1S/C22H21F3N2O2S/c23-22(24,25)16-7-11-18(12-8-16)27-19(28)13-30-21(27)15-5-9-17(10-6-15)26-20(29)14-3-1-2-4-14/h5-12,14,21H,1-4,13H2,(H,26,29)/t21-/m1/s1
InChIKeySNIYWZZZJOCLRC-OAQYLSRUSA-N
XLogP5.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 93126889
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]thiophene-2-carboxamide
CID 93126905
(3S)-3,5,5-trimethyl-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]hexanamide
CID 93126918
(2S)-N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]-2-phenylbutanamide
CID 93126927
N-[4-[3-(2,5-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclobutanecarboxamide
CID 42806187
2-(4-ethylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 11842543
N-[4-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42807114
N-methyl-4-[(2R)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]benzenesulfonamide
CID 1275973
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
CID 42804330
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]propanamide
CID 42805213
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 25071743

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide (CID 93126935) is N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)cc1)C1CCCC1.
What is the InChIKey of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is SNIYWZZZJOCLRC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21F3N2O2S/c23-22(24,25)16-7-11-18(12-8-16)27-19(28)13-30-21(27)15-5-9-17(10-6-15)26-20(29)14-3-1-2-4-14/h5-12,14,21H,1-4,13H2,(H,26,29)/t21-/m1/s1.
What are the key properties of N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide?
N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 434.48 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 93126935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).