N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C26H25FN2O2S — CID 94020279

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O2S/c1-18(20-11-13-23(27)14-12-20)28-25(31)21-7-9-22(10-8-21)26-29(24(30)17-32-26)16-15-19-5-3-2-4-6-19/h2-14,18,26H,15-17H2,1H3,(H,28,31)/t18-,26+/m1/s1
InChIKeyFAZSAKDALVFMCD-DWXRJYCRSA-N
MW448.56 g/mol
LogP5.13
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 94020279) has the molecular formula C26H25FN2O2S and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID94020279
Molecular FormulaC26H25FN2O2S
Molecular Weight448.56 g/mol
Exact Mass448.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN2O2S/c1-18(20-11-13-23(27)14-12-20)28-25(31)21-7-9-22(10-8-21)26-29(24(30)17-32-26)16-15-19-5-3-2-4-6-19/h2-14,18,26H,15-17H2,1H3,(H,28,31)/t18-,26+/m1/s1
InChIKeyFAZSAKDALVFMCD-DWXRJYCRSA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 21372044
N-[(1S)-1-(4-methylphenyl)ethyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 28633120
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 94018455
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]benzamide
CID 92675049
2-[[4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]benzoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 40736665
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100561810
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133167509

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 94020279) is N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is FAZSAKDALVFMCD-DWXRJYCRSA-N. The full InChI is InChI=1S/C26H25FN2O2S/c1-18(20-11-13-23(27)14-12-20)28-25(31)21-7-9-22(10-8-21)26-29(24(30)17-32-26)16-15-19-5-3-2-4-6-19/h2-14,18,26H,15-17H2,1H3,(H,28,31)/t18-,26+/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 448.56 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 94020279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).