N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C25H22Cl2N2O2S — CID 27154665

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H22Cl2N2O2S/c26-21-11-10-20(22(27)14-21)15-28-24(31)18-6-8-19(9-7-18)25-29(23(30)16-32-25)13-12-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15-16H2,(H,28,31)/t25-/m0/s1
InChIKeyXKRSRAPXGULHJO-VWLOTQADSA-N
MW485.44 g/mol
LogP5.74
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 27154665) has the molecular formula C25H22Cl2N2O2S and a molecular weight of 485.44 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID27154665
Molecular FormulaC25H22Cl2N2O2S
Molecular Weight485.44 g/mol
Exact Mass484.08
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H22Cl2N2O2S/c26-21-11-10-20(22(27)14-21)15-28-24(31)18-6-8-19(9-7-18)25-29(23(30)16-32-25)13-12-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15-16H2,(H,28,31)/t25-/m0/s1
InChIKeyXKRSRAPXGULHJO-VWLOTQADSA-N
XLogP5.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 21371667
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 3831558
N-[(2-ethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43915352
N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5066710
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126172626
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126182213
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 21372044
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 133203275
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 27154665) is N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is XKRSRAPXGULHJO-VWLOTQADSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2S/c26-21-11-10-20(22(27)14-21)15-28-24(31)18-6-8-19(9-7-18)25-29(23(30)16-32-25)13-12-17-4-2-1-3-5-17/h1-11,14,25H,12-13,15-16H2,(H,28,31)/t25-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 485.44 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 27154665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).