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

C15H18N2O4S — CID 4983381

IUPACN-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)16-13(18)8-17-14(19)9-22-10(2)15(17)20/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyTWEPCIDFQGMOPO-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.51
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (PubChem CID 4983381) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
PubChem CID4983381
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
SMILESCCOc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1
InChIInChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)16-13(18)8-17-14(19)9-22-10(2)15(17)20/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyTWEPCIDFQGMOPO-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide (CID 4983381) is N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is CCOc1ccc(NC(=O)CN2C(=O)CSC(C)C2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
The InChIKey is TWEPCIDFQGMOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-3-21-12-6-4-11(5-7-12)16-13(18)8-17-14(19)9-22-10(2)15(17)20/h4-7,10H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide?
N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide is sourced from PubChem (CID 4983381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).