4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide

C12H16N2O4S — CID 18169101

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-13-12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFXQSXZHSAGLHDJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.91
Rot. Bonds4

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide (PubChem CID 18169101) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
PubChem CID18169101
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-2-18-13-12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFXQSXZHSAGLHDJ-UHFFFAOYSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 55433514
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
[(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)-N-[2-(methylamino)propyl]benzamide
CID 120829578
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547721
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 7483201
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 18096126

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide (CID 18169101) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide is CCONC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide?
The InChIKey is FXQSXZHSAGLHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-18-13-12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide has a molecular weight of 284.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide is sourced from PubChem (CID 18169101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).