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

C24H21ClN2O2S — CID 93125976

IUPAC3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c1-2-16-6-12-21(13-7-16)27-22(28)15-30-24(27)17-8-10-20(11-9-17)26-23(29)18-4-3-5-19(25)14-18/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyYQQMBVPKDKGFMO-DEOSSOPVSA-N
MW436.96 g/mol
LogP5.93
Rot. Bonds5

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

3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125976) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
PubChem CID93125976
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
SMILESCCc1ccc(N2C(=O)CS[C@H]2c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c1-2-16-6-12-21(13-7-16)27-22(28)15-30-24(27)17-8-10-20(11-9-17)26-23(29)18-4-3-5-19(25)14-18/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1
InChIKeyYQQMBVPKDKGFMO-DEOSSOPVSA-N
XLogP5.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methyl-3-nitrobenzamide
CID 93125958
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
3-bromo-N-[4-[(2R)-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125670
4-tert-butyl-N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 42805286
4-tert-butyl-N-[4-[(2R)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93128045
3-methoxy-N-[4-(4-oxo-3-phenyl-1,3-thiazolidin-2-yl)phenyl]benzamide
CID 42804066
N-[4-[3-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,4-dichlorobenzamide
CID 42807473
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
N-[3-[3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylbenzamide
CID 42805280

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125976) is 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-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)c3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
The InChIKey is YQQMBVPKDKGFMO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-2-16-6-12-21(13-7-16)27-22(28)15-30-24(27)17-8-10-20(11-9-17)26-23(29)18-4-3-5-19(25)14-18/h3-14,24H,2,15H2,1H3,(H,26,29)/t24-/m0/s1.
What are the key properties of 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?
3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2S)-3-(4-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).