N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C14H18N2O6S — CID 21006832

IUPACN-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)OC
InChIInChI=1S/C14H18N2O6S/c1-21-13(22-2)9-15-14(18)10-3-5-11(6-4-10)16-12(17)7-8-23(16,19)20/h3-6,13H,7-9H2,1-2H3,(H,15,18)
InChIKeyZTABIDZIKXYCRY-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.10
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21006832) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21006832
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC NameN-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCOC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)OC
InChIInChI=1S/C14H18N2O6S/c1-21-13(22-2)9-15-14(18)10-3-5-11(6-4-10)16-12(17)7-8-23(16,19)20/h3-6,13H,7-9H2,1-2H3,(H,15,18)
InChIKeyZTABIDZIKXYCRY-UHFFFAOYSA-N
XLogP0.10
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110616599
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618492
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561
N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
CID 110407862
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
4-acetamido-N-(2,2-dimethoxyethyl)benzamide
CID 110463963
N-(2,2-dimethoxyethyl)-4-methylsulfanylbenzamide
CID 79214484
N-[2-(4-methylpiperidin-1-yl)propyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110301781

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21006832) is N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is COC(CNC(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ZTABIDZIKXYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-21-13(22-2)9-15-14(18)10-3-5-11(6-4-10)16-12(17)7-8-23(16,19)20/h3-6,13H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 342.37 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21006832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).