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

C23H26ClN3O4S — CID 55355494

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccc(OC)c(Cl)c2)S/C1=N\c1cccc(C)c1
InChIInChI=1S/C23H26ClN3O4S/c1-15-6-4-7-16(12-15)26-23-27(10-5-11-30-2)22(29)20(32-23)14-21(28)25-17-8-9-19(31-3)18(24)13-17/h4,6-9,12-13,20H,5,10-11,14H2,1-3H3,(H,25,28)/b26-23-
InChIKeyTVXBOQTWRVSYKA-RWEWTDSWSA-N
MW476.00 g/mol
LogP4.65
Rot. Bonds9

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

N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 55355494) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID55355494
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccc(OC)c(Cl)c2)S/C1=N\c1cccc(C)c1
InChIInChI=1S/C23H26ClN3O4S/c1-15-6-4-7-16(12-15)26-23-27(10-5-11-30-2)22(29)20(32-23)14-21(28)25-17-8-9-19(31-3)18(24)13-17/h4,6-9,12-13,20H,5,10-11,14H2,1-3H3,(H,25,28)/b26-23-
InChIKeyTVXBOQTWRVSYKA-RWEWTDSWSA-N
XLogP4.65
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.65
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-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(3-methylphenyl)acetamide
CID 3136268
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-[(5S)-3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 8715689
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802663
N-(2,5-dimethylphenyl)-2-[3-(3-methoxypropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 18206216
2-[(5R)-2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2385516
N-(3-chloro-4-methoxyphenyl)-2-(3-cyclopropyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 42993771
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918
N-(4-fluorophenyl)-2-[2-(3-methylphenyl)imino-4-oxo-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 42990807
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3381069
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
N-(3-chloro-2-methylphenyl)-2-[2-(2,4-dimethylphenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 46802671

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 55355494) is N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is COCCCN1C(=O)C(CC(=O)Nc2ccc(OC)c(Cl)c2)S/C1=N\c1cccc(C)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is TVXBOQTWRVSYKA-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-6-4-7-16(12-15)26-23-27(10-5-11-30-2)22(29)20(32-23)14-21(28)25-17-8-9-19(31-3)18(24)13-17/h4,6-9,12-13,20H,5,10-11,14H2,1-3H3,(H,25,28)/b26-23-.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 476.00 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(3-methoxypropyl)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 55355494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).