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

C15H18N2O3S — CID 2148181

IUPAC2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)CSCC2=O)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-9-4-10(2)15(11(3)5-9)16-12(18)6-17-13(19)7-21-8-14(17)20/h4-5H,6-8H2,1-3H3,(H,16,18)
InChIKeyDEISAFAMXMJKDD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.65
Rot. Bonds3

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

2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2148181) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2148181
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2C(=O)CSCC2=O)c(C)c1
InChIInChI=1S/C15H18N2O3S/c1-9-4-10(2)15(11(3)5-9)16-12(18)6-17-13(19)7-21-8-14(17)20/h4-5H,6-8H2,1-3H3,(H,16,18)
InChIKeyDEISAFAMXMJKDD-UHFFFAOYSA-N
XLogP1.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 2148181) is 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2C(=O)CSCC2=O)c(C)c1.
What is the InChIKey of 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is DEISAFAMXMJKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-10(2)15(11(3)5-9)16-12(18)6-17-13(19)7-21-8-14(17)20/h4-5H,6-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxothiomorpholin-4-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2148181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).