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

C12H16N2O3S — CID 51246187

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-13-12(15)10-4-6-11(7-5-10)14-8-3-9-18(14,16)17/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyLTZNCZNBGSWTNT-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.98
Rot. Bonds3

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide (PubChem CID 51246187) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
PubChem CID51246187
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-13-12(15)10-4-6-11(7-5-10)14-8-3-9-18(14,16)17/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyLTZNCZNBGSWTNT-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 55693771
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690257
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide (CID 51246187) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide?
The InChIKey is LTZNCZNBGSWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-13-12(15)10-4-6-11(7-5-10)14-8-3-9-18(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-ethylbenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide is sourced from PubChem (CID 51246187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).