4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide

C26H26N2O4S — CID 133244546

IUPAC4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)c1
InChIInChI=1S/C26H26N2O4S/c1-31-22-8-5-9-23(16-22)32-15-14-27-25(30)20-10-12-21(13-11-20)26-28(24(29)18-33-26)17-19-6-3-2-4-7-19/h2-13,16,26H,14-15,17-18H2,1H3,(H,27,30)
InChIKeySUXWDFLMDOXVQX-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.28
Rot. Bonds9

About 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide (PubChem CID 133244546) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
PubChem CID133244546
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC Name4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)c1
InChIInChI=1S/C26H26N2O4S/c1-31-22-8-5-9-23(16-22)32-15-14-27-25(30)20-10-12-21(13-11-20)26-28(24(29)18-33-26)17-19-6-3-2-4-7-19/h2-13,16,26H,14-15,17-18H2,1H3,(H,27,30)
InChIKeySUXWDFLMDOXVQX-UHFFFAOYSA-N
XLogP4.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 133244543
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 1278524
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(2-tert-butylphenoxy)ethyl]benzamide
CID 133252142
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 46772568
4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide
CID 133164093
N-(2-methoxyethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 3149481
N-[2-(2-tert-butylphenoxy)ethyl]-4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]benzamide
CID 133252163
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94012941
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 46764264
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94019723
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopentylbenzamide
CID 40560076
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The IUPAC name of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide (CID 133244546) is 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The canonical SMILES for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide is COc1cccc(OCCNC(=O)c2ccc(C3SCC(=O)N3Cc3ccccc3)cc2)c1.
What is the InChIKey of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
The InChIKey is SUXWDFLMDOXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-31-22-8-5-9-23(16-22)32-15-14-27-25(30)20-10-12-21(13-11-20)26-28(24(29)18-33-26)17-19-6-3-2-4-7-19/h2-13,16,26H,14-15,17-18H2,1H3,(H,27,30).
What are the key properties of 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide?
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide is sourced from PubChem (CID 133244546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).