N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

C25H23ClN2O3S — CID 5066710

IUPACN-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-31-22-12-11-20(26)15-21(22)27-24(30)18-7-9-19(10-8-18)25-28(23(29)16-32-25)14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30)
InChIKeyBXYFOZJCYNMJGB-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.42
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide

N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (PubChem CID 5066710) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
PubChem CID5066710
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C25H23ClN2O3S/c1-31-22-12-11-20(26)15-21(22)27-24(30)18-7-9-19(10-8-18)25-28(23(29)16-32-25)14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30)
InChIKeyBXYFOZJCYNMJGB-UHFFFAOYSA-N
XLogP5.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 42502751
N-(2-methoxy-5-nitrophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126177751
N-[(3,4-dimethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43910156
dimethyl 2-[[4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzene-1,4-dicarboxylate
CID 21372555
N-[(2,4-dichlorophenyl)methyl]-4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 27154665
methyl 4-[[4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 982903
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126172626
methyl 2-methyl-3-[[4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzoyl]amino]benzoate
CID 21372053
N-(4-iodophenyl)-4-[(2R)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 126118506
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 5100242

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide (CID 5066710) is N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(C2SCC(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is BXYFOZJCYNMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-31-22-12-11-20(26)15-21(22)27-24(30)18-7-9-19(10-8-18)25-28(23(29)16-32-25)14-13-17-5-3-2-4-6-17/h2-12,15,25H,13-14,16H2,1H3,(H,27,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide?
N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 466.99 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 5066710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).