2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

C24H29N3O4S — CID 42990888

IUPAC2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccccc2OC)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C24H29N3O4S/c1-16-9-7-10-17(2)22(16)26-24-27(13-8-14-30-3)23(29)20(32-24)15-21(28)25-18-11-5-6-12-19(18)31-4/h5-7,9-12,20H,8,13-15H2,1-4H3,(H,25,28)/b26-24-
InChIKeyVYXPKVUDYGFVAS-LCUIJRPUSA-N
MW455.58 g/mol
LogP4.31
Rot. Bonds9

About 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide

2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 42990888) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID42990888
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccccc2OC)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C24H29N3O4S/c1-16-9-7-10-17(2)22(16)26-24-27(13-8-14-30-3)23(29)20(32-24)15-21(28)25-18-11-5-6-12-19(18)31-4/h5-7,9-12,20H,8,13-15H2,1-4H3,(H,25,28)/b26-24-
InChIKeyVYXPKVUDYGFVAS-LCUIJRPUSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715996
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994082
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 18267547
2-[3-(3-ethoxypropyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990697
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994042
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949
N-(2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 8716052
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide (CID 42990888) is 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is COCCCN1C(=O)C(CC(=O)Nc2ccccc2OC)S/C1=N\c1c(C)cccc1C.
What is the InChIKey of 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VYXPKVUDYGFVAS-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-16-9-7-10-17(2)22(16)26-24-27(13-8-14-30-3)23(29)20(32-24)15-21(28)25-18-11-5-6-12-19(18)31-4/h5-7,9-12,20H,8,13-15H2,1-4H3,(H,25,28)/b26-24-.
What are the key properties of 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide?
2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 455.58 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 42990888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).