2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide

C19H23N3O4S — CID 46343885

IUPAC2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)S1(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-2-26-18-11-7-6-10-17(18)20-19(23)15-22-13-12-21(27(22,24)25)14-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,20,23)
InChIKeyFAAJGPMSGVTAQE-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.09
Rot. Bonds7

About 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide

2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 46343885) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID46343885
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)S1(=O)=O
InChIInChI=1S/C19H23N3O4S/c1-2-26-18-11-7-6-10-17(18)20-19(23)15-22-13-12-21(27(22,24)25)14-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,20,23)
InChIKeyFAAJGPMSGVTAQE-UHFFFAOYSA-N
XLogP2.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide (CID 46343885) is 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)S1(=O)=O.
What is the InChIKey of 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is FAAJGPMSGVTAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-2-26-18-11-7-6-10-17(18)20-19(23)15-22-13-12-21(27(22,24)25)14-16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3,(H,20,23).
What are the key properties of 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide?
2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 389.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 46343885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).