2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

C14H15F3N2O5S — CID 166268831

IUPAC2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESO=C(CN1CCOCC1=O)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O5S/c15-14(16,17)11-3-1-2-10(6-11)9-25(22,23)18-12(20)7-19-4-5-24-8-13(19)21/h1-3,6H,4-5,7-9H2,(H,18,20)
InChIKeyMENONKAOSFZXBZ-UHFFFAOYSA-N
MW380.34 g/mol
LogP0.51
Rot. Bonds5

About 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide

2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (PubChem CID 166268831) has the molecular formula C14H15F3N2O5S and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound Name2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
PubChem CID166268831
Molecular FormulaC14H15F3N2O5S
Molecular Weight380.34 g/mol
Exact Mass380.07
IUPAC Name2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
SMILESO=C(CN1CCOCC1=O)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O5S/c15-14(16,17)11-3-1-2-10(6-11)9-25(22,23)18-12(20)7-19-4-5-24-8-13(19)21/h1-3,6H,4-5,7-9H2,(H,18,20)
InChIKeyMENONKAOSFZXBZ-UHFFFAOYSA-N
XLogP0.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide (CID 166268831) is 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is O=C(CN1CCOCC1=O)NS(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is MENONKAOSFZXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O5S/c15-14(16,17)11-3-1-2-10(6-11)9-25(22,23)18-12(20)7-19-4-5-24-8-13(19)21/h1-3,6H,4-5,7-9H2,(H,18,20).
What are the key properties of 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide?
2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 380.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxomorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 166268831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).