ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate

C18H25NO6S — CID 10362542

IUPACethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(C)C(=O)N1CCS(=O)C1COc1ccccc1OC
InChIInChI=1S/C18H25NO6S/c1-5-24-17(21)18(2,3)16(20)19-10-11-26(22)15(19)12-25-14-9-7-6-8-13(14)23-4/h6-9,15H,5,10-12H2,1-4H3
InChIKeyCVTLPYDIIIOJOZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.58
Rot. Bonds7

About ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate

ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate (PubChem CID 10362542) has the molecular formula C18H25NO6S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
PubChem CID10362542
Molecular FormulaC18H25NO6S
Molecular Weight383.47 g/mol
Exact Mass383.14
IUPAC Nameethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
SMILESCCOC(=O)C(C)(C)C(=O)N1CCS(=O)C1COc1ccccc1OC
InChIInChI=1S/C18H25NO6S/c1-5-24-17(21)18(2,3)16(20)19-10-11-26(22)15(19)12-25-14-9-7-6-8-13(14)23-4/h6-9,15H,5,10-12H2,1-4H3
InChIKeyCVTLPYDIIIOJOZ-UHFFFAOYSA-N
XLogP1.58
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate with MolForge

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Related Compounds

ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate
CID 3074756
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 3074757
1-O-ethyl 3-O-(2-methylphenyl) 2,2-dimethylpropanedioate
CID 91699086
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]butane-1,2-dione
CID 67937248
ethyl 4-[(2-methoxyphenoxy)methylcarbamoyl]piperazine-1-carboxylate
CID 108892364

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate (CID 10362542) is ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate is CCOC(=O)C(C)(C)C(=O)N1CCS(=O)C1COc1ccccc1OC.
What is the InChIKey of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
The InChIKey is CVTLPYDIIIOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6S/c1-5-24-17(21)18(2,3)16(20)19-10-11-26(22)15(19)12-25-14-9-7-6-8-13(14)23-4/h6-9,15H,5,10-12H2,1-4H3.
What are the key properties of ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate?
ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate has a molecular weight of 383.47 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2-methoxyphenoxy)methyl]-1-oxo-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoate is sourced from PubChem (CID 10362542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).