2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

C13H18N2O4S — CID 78898081

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)NC1CCCc2occc21
InChIInChI=1S/C13H18N2O4S/c16-13(9-15-6-2-8-20(15,17)18)14-11-3-1-4-12-10(11)5-7-19-12/h5,7,11H,1-4,6,8-9H2,(H,14,16)
InChIKeyLMKSRLSACFGZPO-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.81
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (PubChem CID 78898081) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
PubChem CID78898081
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
SMILESO=C(CN1CCCS1(=O)=O)NC1CCCc2occc21
InChIInChI=1S/C13H18N2O4S/c16-13(9-15-6-2-8-20(15,17)18)14-11-3-1-4-12-10(11)5-7-19-12/h5,7,11H,1-4,6,8-9H2,(H,14,16)
InChIKeyLMKSRLSACFGZPO-UHFFFAOYSA-N
XLogP0.81
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide (CID 78898081) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is O=C(CN1CCCS1(=O)=O)NC1CCCc2occc21.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
The InChIKey is LMKSRLSACFGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(9-15-6-2-8-20(15,17)18)14-11-3-1-4-12-10(11)5-7-19-12/h5,7,11H,1-4,6,8-9H2,(H,14,16).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide is sourced from PubChem (CID 78898081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).