2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide

C18H14N2O4S — CID 2151850

IUPAC2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H14N2O4S/c21-16(19-13-7-2-1-3-8-13)11-24-14-9-5-4-6-12(14)10-15-17(22)20-18(23)25-15/h1-10H,11H2,(H,19,21)(H,20,22,23)/b15-10-
InChIKeyAWXWPTLIGKGTLZ-GDNBJRDFSA-N
MW354.39 g/mol
LogP3.03
Rot. Bonds5

About 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide

2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide (PubChem CID 2151850) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
PubChem CID2151850
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccccc1
InChIInChI=1S/C18H14N2O4S/c21-16(19-13-7-2-1-3-8-13)11-24-14-9-5-4-6-12(14)10-15-17(22)20-18(23)25-15/h1-10H,11H2,(H,19,21)(H,20,22,23)/b15-10-
InChIKeyAWXWPTLIGKGTLZ-GDNBJRDFSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(3-Chlorophenyl)-2-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)acetamide
CID 18808443
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-(3-ethenylphenyl)-2-phenoxyacetamide
CID 2231690
N-[3-(acetylamino)phenyl]-2-(2-methylphenoxy)acetamide
CID 683793
2-(2-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 759341
2-(2-methylphenoxy)-N-(2-oxo-2H-chromen-6-yl)acetamide
CID 969017
(Z)-2-(2-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)phenoxy)-N-(4-fluorophenyl)acetamide
CID 7221093
N-(3-methylphenyl)-2-phenoxyacetamide
CID 689978
2-{2-[(2,5-dioxo-4-imidazolidinylidene)methyl]phenoxy}-N-phenylacetamide
CID 806571
N-[4-(benzyloxy)phenyl]-2-methoxyacetamide
CID 885672
N-(3-ethylphenyl)-2-phenoxyacetamide
CID 898185
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2348304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide (CID 2151850) is 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide is O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is AWXWPTLIGKGTLZ-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-16(19-13-7-2-1-3-8-13)11-24-14-9-5-4-6-12(14)10-15-17(22)20-18(23)25-15/h1-10H,11H2,(H,19,21)(H,20,22,23)/b15-10-.
What are the key properties of 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide?
2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 354.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 2151850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).