2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C24H29N3O4S — CID 46802720

IUPAC2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C24H29N3O4S/c1-5-31-18-12-10-17(11-13-18)25-24-27(15-16(2)3)23(29)21(32-24)14-22(28)26-19-8-6-7-9-20(19)30-4/h6-13,16,21H,5,14-15H2,1-4H3,(H,26,28)/b25-24-
InChIKeyXWWZYWOQXIQIAA-IZHYLOQSSA-N
MW455.58 g/mol
LogP4.71
Rot. Bonds9

About 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 46802720) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID46802720
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2CC(C)C)cc1
InChIInChI=1S/C24H29N3O4S/c1-5-31-18-12-10-17(11-13-18)25-24-27(15-16(2)3)23(29)21(32-24)14-22(28)26-19-8-6-7-9-20(19)30-4/h6-13,16,21H,5,14-15H2,1-4H3,(H,26,28)/b25-24-
InChIKeyXWWZYWOQXIQIAA-IZHYLOQSSA-N
XLogP4.71
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
N-(2-methoxyphenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-3-[(2-methoxyphenyl)methyl]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 25402558
2-[3-(3-ethoxypropyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990697
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830
2-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 42990588
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
2-[(5R)-2-(4-fluorophenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 28776539
2-[(5S)-2-(4-ethylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715924
methyl 2-[[2-[2-(4-ethoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 2936755
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
2-[(5R)-2-[4-(difluoromethoxy)phenyl]imino-4-oxo-3-[(2R)-pentan-2-yl]-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 41135445
N-(4-ethoxyphenyl)-2-(3-ethyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 21368527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 46802720) is 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is CCOc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3OC)C(=O)N2CC(C)C)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is XWWZYWOQXIQIAA-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-5-31-18-12-10-17(11-13-18)25-24-27(15-16(2)3)23(29)21(32-24)14-22(28)26-19-8-6-7-9-20(19)30-4/h6-13,16,21H,5,14-15H2,1-4H3,(H,26,28)/b25-24-.
What are the key properties of 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 46802720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).