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

C15H18N2O4S — CID 4626480

IUPAC2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)C(C)SC(C)C1=O
InChIInChI=1S/C15H18N2O4S/c1-9-14(19)17(15(20)10(2)22-9)8-13(18)16-11-6-4-5-7-12(11)21-3/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyWMRYZFMQAOCCMY-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.51
Rot. Bonds4

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

2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 4626480) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID4626480
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)C(C)SC(C)C1=O
InChIInChI=1S/C15H18N2O4S/c1-9-14(19)17(15(20)10(2)22-9)8-13(18)16-11-6-4-5-7-12(11)21-3/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyWMRYZFMQAOCCMY-UHFFFAOYSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide (CID 4626480) is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)C(C)SC(C)C1=O.
What is the InChIKey of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is WMRYZFMQAOCCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-9-14(19)17(15(20)10(2)22-9)8-13(18)16-11-6-4-5-7-12(11)21-3/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide?
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 322.39 g/mol, XLogP of 1.51, 4 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4626480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).