2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide

C16H20N2O4S — CID 4620189

IUPAC2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1
InChIInChI=1S/C16H20N2O4S/c1-4-22-13-7-5-12(6-8-13)17-14(19)9-18-15(20)10(2)23-11(3)16(18)21/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)
InChIKeyGJLQDHVBWSNZEY-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.90
Rot. Bonds5

About 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide

2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 4620189) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID4620189
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1
InChIInChI=1S/C16H20N2O4S/c1-4-22-13-7-5-12(6-8-13)17-14(19)9-18-15(20)10(2)23-11(3)16(18)21/h5-8,10-11H,4,9H2,1-3H3,(H,17,19)
InChIKeyGJLQDHVBWSNZEY-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide (CID 4620189) is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)C(C)SC(C)C2=O)cc1.
What is the InChIKey of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is GJLQDHVBWSNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-4-22-13-7-5-12(6-8-13)17-14(19)9-18-15(20)10(2)23-11(3)16(18)21/h5-8,10-11H,4,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide?
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 336.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 4620189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).