2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C26H22IN3O4S — CID 137074258

IUPAC2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H22IN3O4S/c1-16-7-6-10-19(11-16)28-23(31)15-34-24-20(27)12-17(13-21(24)33-2)14-22-25(32)30-26(35-22)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31)(H,29,30,32)/b22-14-
InChIKeyJYVOFUIBSBHOHL-HMAPJEAMSA-N
MW599.45 g/mol
LogP5.52
Rot. Bonds7

About 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 137074258) has the molecular formula C26H22IN3O4S and a molecular weight of 599.45 g/mol. Its IUPAC name is 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID137074258
Molecular FormulaC26H22IN3O4S
Molecular Weight599.45 g/mol
Exact Mass599.04
IUPAC Name2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H22IN3O4S/c1-16-7-6-10-19(11-16)28-23(31)15-34-24-20(27)12-17(13-21(24)33-2)14-22-25(32)30-26(35-22)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31)(H,29,30,32)/b22-14-
InChIKeyJYVOFUIBSBHOHL-HMAPJEAMSA-N
XLogP5.52
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)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-iodo-6-methoxy-4-[(E)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 137080866
2-[4-[(Z)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]-N-phenylacetamide
CID 137073753
N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-6-iodo-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 137073662
2-[4-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 137079461
2-[2-methoxy-4-[[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 135497643
2-[2-chloro-4-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 137080532
2-[4-chloro-2-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 135518432
2-[2-ethoxy-4-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-iodophenoxy]-N-(4-methylphenyl)acetamide
CID 137139297
(5Z)-5-[[4-[(4-bromophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137074778
2-[2-bromo-4-[(E)-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 137080139
2-[4-[(Z)-[2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenoxy]acetic acid
CID 137100119
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135641361

Frequently Asked Questions

What is the IUPAC name of 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 137074258) is 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide is COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(I)c1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is JYVOFUIBSBHOHL-HMAPJEAMSA-N. The full InChI is InChI=1S/C26H22IN3O4S/c1-16-7-6-10-19(11-16)28-23(31)15-34-24-20(27)12-17(13-21(24)33-2)14-22-25(32)30-26(35-22)29-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,28,31)(H,29,30,32)/b22-14-.
What are the key properties of 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 599.45 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-iodo-6-methoxy-4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 137074258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).