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

C24H21BrN2O2S — CID 93125956

IUPAC4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H21BrN2O2S/c1-2-16-3-13-21(14-4-16)27-22(28)15-30-24(27)18-7-11-20(12-8-18)26-23(29)17-5-9-19(25)10-6-17/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyDHSKMIYVMMVTJW-DEOSSOPVSA-N
MW481.42 g/mol
LogP6.04
Rot. Bonds5

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

4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125956) has the molecular formula C24H21BrN2O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125956
Molecular FormulaC24H21BrN2O2S
Molecular Weight481.42 g/mol
Exact Mass480.05
IUPAC Name4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C24H21BrN2O2S/c1-2-16-3-13-21(14-4-16)27-22(28)15-30-24(27)18-7-11-20(12-8-18)26-23(29)17-5-9-19(25)10-6-17/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyDHSKMIYVMMVTJW-DEOSSOPVSA-N
XLogP6.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-ethylbenzamide
CID 93125682
3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125976
N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 93125958
4-butyl-N-[4-[(2S)-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93124768
4-hexyl-N-[4-[(2R)-4-oxo-3-phenyl-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93123921
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
4-tert-butyl-N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42805286
4-butyl-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125677
N-[4-[(2S)-3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127579
4-tert-butyl-N-[4-[(2S)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125663
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
N-(4-acetylphenyl)-2-[4-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetamide
CID 171369069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125956) is 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is DHSKMIYVMMVTJW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21BrN2O2S/c1-2-16-3-13-21(14-4-16)27-22(28)15-30-24(27)18-7-11-20(12-8-18)26-23(29)17-5-9-19(25)10-6-17/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 481.42 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).