(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

C19H20N2O5S — CID 46696009

IUPAC(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCC(OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N2O5S/c1-14(18(22)20-16-8-3-2-4-9-16)26-19(23)15-7-5-10-17(13-15)21-11-6-12-27(21,24)25/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,20,22)
InChIKeyKOJOGGVPCMCIEZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.41
Rot. Bonds5

About (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate

(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (PubChem CID 46696009) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.

Molecular Properties

Compound Name(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
PubChem CID46696009
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
SMILESCC(OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H20N2O5S/c1-14(18(22)20-16-8-3-2-4-9-16)26-19(23)15-7-5-10-17(13-15)21-11-6-12-27(21,24)25/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,20,22)
InChIKeyKOJOGGVPCMCIEZ-UHFFFAOYSA-N
XLogP2.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695643
(1-amino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 46695655
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508447
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
[1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442585
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
(2-oxo-1,2-diphenylethyl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55486036
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508626
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840

Frequently Asked Questions

What is the IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The IUPAC name of (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate (CID 46696009) is (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate.
What is the SMILES notation for (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The canonical SMILES for (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is CC(OC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(=O)Nc1ccccc1.
What is the InChIKey of (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
The InChIKey is KOJOGGVPCMCIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-14(18(22)20-16-8-3-2-4-9-16)26-19(23)15-7-5-10-17(13-15)21-11-6-12-27(21,24)25/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,20,22).
What are the key properties of (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate?
(1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate has a molecular weight of 388.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-anilino-1-oxopropan-2-yl) 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate is sourced from PubChem (CID 46696009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).