[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C18H16ClNO5S — CID 18099158

IUPAC[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO5S/c19-15-6-2-13(3-7-15)17(21)12-25-18(22)14-4-8-16(9-5-14)20-10-1-11-26(20,23)24/h2-9H,1,10-12H2
InChIKeyBEDFKLVEDIOFGZ-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.92
Rot. Bonds5

About [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 18099158) has the molecular formula C18H16ClNO5S and a molecular weight of 393.85 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID18099158
Molecular FormulaC18H16ClNO5S
Molecular Weight393.85 g/mol
Exact Mass393.04
IUPAC Name[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClNO5S/c19-15-6-2-13(3-7-15)17(21)12-25-18(22)14-4-8-16(9-5-14)20-10-1-11-26(20,23)24/h2-9H,1,10-12H2
InChIKeyBEDFKLVEDIOFGZ-UHFFFAOYSA-N
XLogP2.92
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099206
[2-(3-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099179
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 24523242
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18145236
[(E)-pent-2-enyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 60554605
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099171
[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,3-dihydroisoindol-2-yl)benzoate
CID 4110956
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55449882

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 18099158) is [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is O=C(COC(=O)c1ccc(N2CCCS2(=O)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is BEDFKLVEDIOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5S/c19-15-6-2-13(3-7-15)17(21)12-25-18(22)14-4-8-16(9-5-14)20-10-1-11-26(20,23)24/h2-9H,1,10-12H2.
What are the key properties of [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
[2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 393.85 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 18099158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).