[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C19H18FNO6S — CID 18145236

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H18FNO6S/c1-26-18-8-5-14(20)11-16(18)17(22)12-27-19(23)13-3-6-15(7-4-13)21-9-2-10-28(21,24)25/h3-8,11H,2,9-10,12H2,1H3
InChIKeyGEGVRBUJLMUUAI-UHFFFAOYSA-N
MW407.42 g/mol
LogP2.41
Rot. Bonds6

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 18145236) has the molecular formula C19H18FNO6S and a molecular weight of 407.42 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID18145236
Molecular FormulaC19H18FNO6S
Molecular Weight407.42 g/mol
Exact Mass407.08
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H18FNO6S/c1-26-18-8-5-14(20)11-16(18)17(22)12-27-19(23)13-3-6-15(7-4-13)21-9-2-10-28(21,24)25/h3-8,11H,2,9-10,12H2,1H3
InChIKeyGEGVRBUJLMUUAI-UHFFFAOYSA-N
XLogP2.41
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate 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-(3-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099179
[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099158
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099206
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-tert-butyl-3-nitrobenzoate
CID 16962462
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099171
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
[(E)-pent-2-enyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 60554605
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methoxybenzoic acid
CID 71252082
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 18145236) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is COc1ccc(F)cc1C(=O)COC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is GEGVRBUJLMUUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO6S/c1-26-18-8-5-14(20)11-16(18)17(22)12-27-19(23)13-3-6-15(7-4-13)21-9-2-10-28(21,24)25/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 407.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 18145236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).