4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide

C12H16N2O4S — CID 47121212

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-13(18-2)12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,3,8-9H2,1-2H3
InChIKeyYNQBFNWTMZYGJV-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.86
Rot. Bonds3

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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide (PubChem CID 47121212) 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-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
PubChem CID47121212
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C12H16N2O4S/c1-13(18-2)12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,3,8-9H2,1-2H3
InChIKeyYNQBFNWTMZYGJV-UHFFFAOYSA-N
XLogP0.86
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.86
H-Bond Donors ≤ 50
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-methyl-N-(2-methylpropyl)benzamide
CID 134058834
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N,2-dimethoxy-N-methylacetamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
CID 158451674
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 55595253
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzamide
CID 17429239
N-[(5-bromothiophen-2-yl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55435016
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-methoxyacetic acid
CID 58431987
[2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 42921058
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55692837

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide (CID 47121212) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide?
The InChIKey is YNQBFNWTMZYGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-13(18-2)12(15)10-4-6-11(7-5-10)14-8-3-9-19(14,16)17/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methoxy-N-methylbenzamide has a molecular weight of 284.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 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-methoxy-N-methylbenzamide is sourced from PubChem (CID 47121212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).