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

C26H33N3O5S — CID 42994082

IUPACN-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2OC)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C26H33N3O5S/c1-6-34-14-8-13-29-25(31)22(35-26(29)28-24-17(2)9-7-10-18(24)3)16-23(30)27-20-12-11-19(32-4)15-21(20)33-5/h7,9-12,15,22H,6,8,13-14,16H2,1-5H3,(H,27,30)/b28-26-
InChIKeyCOILTZAKGGZYCC-SGEDCAFJSA-N
MW499.63 g/mol
LogP4.71
Rot. Bonds11

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

N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42994082) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID42994082
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCCOCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2OC)S/C1=N\c1c(C)cccc1C
InChIInChI=1S/C26H33N3O5S/c1-6-34-14-8-13-29-25(31)22(35-26(29)28-24-17(2)9-7-10-18(24)3)16-23(30)27-20-12-11-19(32-4)15-21(20)33-5/h7,9-12,15,22H,6,8,13-14,16H2,1-5H3,(H,27,30)/b28-26-
InChIKeyCOILTZAKGGZYCC-SGEDCAFJSA-N
XLogP4.71
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990888
2-[3-(3-ethoxypropyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990697
2-[(5S)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 8715996
2-[(5R)-2-(2,6-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716009
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42994042
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918
N-(2,4-dimethoxyphenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217959
2-[(5R)-3-(3-ethoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715685
2-[(5R)-3-(3-methoxypropyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8716074
2-[3-butyl-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990670
N-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetamide;oxalic acid
CID 175652872
2-[2-(3,5-dimethylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 42990949

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 42994082) is N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCOCCCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2OC)S/C1=N\c1c(C)cccc1C.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is COILTZAKGGZYCC-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-6-34-14-8-13-29-25(31)22(35-26(29)28-24-17(2)9-7-10-18(24)3)16-23(30)27-20-12-11-19(32-4)15-21(20)33-5/h7,9-12,15,22H,6,8,13-14,16H2,1-5H3,(H,27,30)/b28-26-.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 499.63 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenyl)imino-3-(3-ethoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42994082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).