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

C15H18N2O3S — CID 3640249

IUPAC2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCC1SCC(=O)N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-11-15(20)17(14(19)10-21-11)9-13(18)16-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyUURWFWVQUNXXTH-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.84
Rot. Bonds5

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

2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 3640249) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID3640249
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide
SMILESCC1SCC(=O)N(CC(=O)NCCc2ccccc2)C1=O
InChIInChI=1S/C15H18N2O3S/c1-11-15(20)17(14(19)10-21-11)9-13(18)16-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18)
InChIKeyUURWFWVQUNXXTH-UHFFFAOYSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.84
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-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide (CID 3640249) is 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide is CC1SCC(=O)N(CC(=O)NCCc2ccccc2)C1=O.
What is the InChIKey of 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is UURWFWVQUNXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-15(20)17(14(19)10-21-11)9-13(18)16-8-7-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,18).
What are the key properties of 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide?
2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3640249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).