2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

C15H17FN2O3S — CID 3344552

IUPAC2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC1SC(C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O3S/c1-9-14(20)18(15(21)10(2)22-9)8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyVWKRLMFBGUWAGA-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.32
Rot. Bonds4

About 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 3344552) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID3344552
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC1SC(C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H17FN2O3S/c1-9-14(20)18(15(21)10(2)22-9)8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)
InChIKeyVWKRLMFBGUWAGA-UHFFFAOYSA-N
XLogP1.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.32
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-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 3344552) is 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is CC1SC(C)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VWKRLMFBGUWAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-9-14(20)18(15(21)10(2)22-9)8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6,9-10H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 3344552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).