2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid

C20H16N2O7S — CID 91755034

IUPAC2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H16N2O7S/c23-17(21-13-3-7-15(8-4-13)29-11-18(24)25)10-28-14-5-1-12(2-6-14)9-16-19(26)22-20(27)30-16/h1-9H,10-11H2,(H,21,23)(H,24,25)(H,22,26,27)/b16-9-
InChIKeyZTQZAKCWESENPH-SXGWCWSVSA-N
MW428.42 g/mol
LogP2.49
Rot. Bonds8

About 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid

2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid (PubChem CID 91755034) has the molecular formula C20H16N2O7S and a molecular weight of 428.42 g/mol. Its IUPAC name is 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid
PubChem CID91755034
Molecular FormulaC20H16N2O7S
Molecular Weight428.42 g/mol
Exact Mass428.07
IUPAC Name2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H16N2O7S/c23-17(21-13-3-7-15(8-4-13)29-11-18(24)25)10-28-14-5-1-12(2-6-14)9-16-19(26)22-20(27)30-16/h1-9H,10-11H2,(H,21,23)(H,24,25)(H,22,26,27)/b16-9-
InChIKeyZTQZAKCWESENPH-SXGWCWSVSA-N
XLogP2.49
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid 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

N-(2-chlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 18808430
2-[4-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 54613211
methyl 2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 18722852
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 46947462
N-(4-bromo-2-methylphenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 162653715
2-[4-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 137079515
2-[(5E)-5-[[4-(2-anilino-2-oxoethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 126140623
2-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 16634167
N-(4-bromophenyl)-2-[4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137063871
2-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 53448223
2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy]-N-(4-hydroxyphenyl)acetamide
CID 16634196
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid (CID 91755034) is 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)COc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid?
The InChIKey is ZTQZAKCWESENPH-SXGWCWSVSA-N. The full InChI is InChI=1S/C20H16N2O7S/c23-17(21-13-3-7-15(8-4-13)29-11-18(24)25)10-28-14-5-1-12(2-6-14)9-16-19(26)22-20(27)30-16/h1-9H,10-11H2,(H,21,23)(H,24,25)(H,22,26,27)/b16-9-.
What are the key properties of 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid?
2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid has a molecular weight of 428.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 91755034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).