4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C26H25FN2O2S — CID 93124768

IUPAC4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H25FN2O2S/c1-2-3-4-18-5-7-19(8-6-18)25(31)28-22-13-9-20(10-14-22)26-29(24(30)17-32-26)23-15-11-21(27)12-16-23/h5-16,26H,2-4,17H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyKQFSZYSFJXXUKE-SANMLTNESA-N
MW448.56 g/mol
LogP6.20
Rot. Bonds7

About 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93124768) has the molecular formula C26H25FN2O2S and a molecular weight of 448.56 g/mol. Its IUPAC name is 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93124768
Molecular FormulaC26H25FN2O2S
Molecular Weight448.56 g/mol
Exact Mass448.16
IUPAC Name4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C26H25FN2O2S/c1-2-3-4-18-5-7-19(8-6-18)25(31)28-22-13-9-20(10-14-22)26-29(24(30)17-32-26)23-15-11-21(27)12-16-23/h5-16,26H,2-4,17H2,1H3,(H,28,31)/t26-/m0/s1
InChIKeyKQFSZYSFJXXUKE-SANMLTNESA-N
XLogP6.20
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 ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
4-butoxy-N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42667006
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93123921
4-butyl-N-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126490
4-butyl-N-[4-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126508
N-[4-[3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-hexylbenzamide
CID 42807186
4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125956
N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
N-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 71956464
3-[4-[3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,1-dimethylurea
CID 46132400
4-butoxy-N-[4-[(2R)-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125813
N-[4-[(2R)-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide
CID 93127692

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93124768) is 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCCc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is KQFSZYSFJXXUKE-SANMLTNESA-N. The full InChI is InChI=1S/C26H25FN2O2S/c1-2-3-4-18-5-7-19(8-6-18)25(31)28-22-13-9-20(10-14-22)26-29(24(30)17-32-26)23-15-11-21(27)12-16-23/h5-16,26H,2-4,17H2,1H3,(H,28,31)/t26-/m0/s1.
What are the key properties of 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 448.56 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93124768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).