(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C24H21NO5S — CID 55486036

IUPAC(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C24H21NO5S/c26-22(18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)30-24(27)20-13-7-14-21(17-20)25-15-8-16-31(25,28)29/h1-7,9-14,17,23H,8,15-16H2
InChIKeyBHZRXFMIJJMYFN-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.01
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 55486036) has the molecular formula C24H21NO5S and a molecular weight of 435.50 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID55486036
Molecular FormulaC24H21NO5S
Molecular Weight435.50 g/mol
Exact Mass435.11
IUPAC Name(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C24H21NO5S/c26-22(18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)30-24(27)20-13-7-14-21(17-20)25-15-8-16-31(25,28)29/h1-7,9-14,17,23H,8,15-16H2
InChIKeyBHZRXFMIJJMYFN-UHFFFAOYSA-N
XLogP4.01
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695655
(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46696009
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 42921058
propan-2-yl 3-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-3-phenylpropanoate
CID 55494275
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 24596783
[(1S)-1-(1,3-benzoxazol-2-yl)ethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 99780940
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[3-[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethoxy]carbonylphenyl]-1,3-dioxoisoindole-5-carboxylate
CID 126184956
(2-bromophenyl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508510
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508626
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508447
[2-(methylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695746
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 55486036) is (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is BHZRXFMIJJMYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5S/c26-22(18-9-3-1-4-10-18)23(19-11-5-2-6-12-19)30-24(27)20-13-7-14-21(17-20)25-15-8-16-31(25,28)29/h1-7,9-14,17,23H,8,15-16H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 435.50 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 55486036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).