methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate

C14H18N2O6S — CID 122155235

IUPACmethyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N2O6S/c1-21-11-5-3-10(4-6-11)15-13(17)9-16-12(14(18)22-2)7-8-23(16,19)20/h3-6,12H,7-9H2,1-2H3,(H,15,17)
InChIKeyPRVXLVKRHQOMNR-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.21
Rot. Bonds5

About methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate

methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate (PubChem CID 122155235) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate
PubChem CID122155235
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Namemethyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate
SMILESCOC(=O)C1CCS(=O)(=O)N1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C14H18N2O6S/c1-21-11-5-3-10(4-6-11)15-13(17)9-16-12(14(18)22-2)7-8-23(16,19)20/h3-6,12H,7-9H2,1-2H3,(H,15,17)
InChIKeyPRVXLVKRHQOMNR-UHFFFAOYSA-N
XLogP0.21
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9042272
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 78942403
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(4-methoxyphenyl)-2-(4-methylidenepiperidin-1-yl)acetamide
CID 172904356
methyl 1,1-dioxo-4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,4-thiazinane-3-carboxylate
CID 75478093

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The IUPAC name of methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate (CID 122155235) is methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The canonical SMILES for methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate is COC(=O)C1CCS(=O)(=O)N1CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
The InChIKey is PRVXLVKRHQOMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-21-11-5-3-10(4-6-11)15-13(17)9-16-12(14(18)22-2)7-8-23(16,19)20/h3-6,12H,7-9H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate?
methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate has a molecular weight of 342.37 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methoxyanilino)-2-oxoethyl]-1,1-dioxo-1,2-thiazolidine-3-carboxylate is sourced from PubChem (CID 122155235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).