3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

C13H15F3N2O3S — CID 136521671

IUPAC3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(=O)N1CCOC(c2cccs2)C1)NCC(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)8-17-11(19)6-12(20)18-3-4-21-9(7-18)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,17,19)
InChIKeyAHTHQFXCUWIYAC-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.72
Rot. Bonds4

About 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 136521671) has the molecular formula C13H15F3N2O3S and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID136521671
Molecular FormulaC13H15F3N2O3S
Molecular Weight336.34 g/mol
Exact Mass336.08
IUPAC Name3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CC(=O)N1CCOC(c2cccs2)C1)NCC(F)(F)F
InChIInChI=1S/C13H15F3N2O3S/c14-13(15,16)8-17-11(19)6-12(20)18-3-4-21-9(7-18)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,17,19)
InChIKeyAHTHQFXCUWIYAC-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-thiophen-2-ylmorpholine
CID 42182771
2-(4-Fluorothiophen-2-yl)morpholine
CID 166519247
2-(5-Fluorothiophen-2-yl)morpholine
CID 166519262
2-(3-Fluorothiophen-2-yl)morpholine
CID 166519271
2-(Thiophen-2-yl)morpholine--hydrogen chloride (1/1)
CID 3059154
4,6-dimethyl-3-(2-thiophen-2-ylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 75381004
2-(Thiophen-2-yl)morpholine
CID 3059155
N-(oxolan-2-ylmethyl)-2-(2-thiophen-2-ylmorpholin-4-yl)acetamide
CID 132360684
6-Thiophen-2-yl-6-(trifluoromethyl)morpholin-3-one
CID 176152194
2-Thiophen-2-yl-2-(trifluoromethyl)morpholine
CID 176153271
N-[(1R,2R)-1-methoxy-1-thiophen-2-ylbut-3-en-2-yl]acetamide
CID 164672058
4,4,4-trifluoro-N-(2-methoxy-2-(5-methylthiophen-2-yl)ethyl)butanamide
CID 90598453

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 136521671) is 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CC(=O)N1CCOC(c2cccs2)C1)NCC(F)(F)F.
What is the InChIKey of 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AHTHQFXCUWIYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3S/c14-13(15,16)8-17-11(19)6-12(20)18-3-4-21-9(7-18)10-2-1-5-22-10/h1-2,5,9H,3-4,6-8H2,(H,17,19).
What are the key properties of 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 336.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2-thiophen-2-ylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 136521671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).