N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide

C12H15F3N2O2S — CID 56863963

IUPACN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-8-17(5-6-19-10)11(18)16-4-3-9-2-1-7-20-9/h1-2,7,10H,3-6,8H2,(H,16,18)
InChIKeyKSQXCUJLFFIGSH-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.26
Rot. Bonds3

About N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide

N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 56863963) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID56863963
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC NameN-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NCCc1cccs1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)10-8-17(5-6-19-10)11(18)16-4-3-9-2-1-7-20-9/h1-2,7,10H,3-6,8H2,(H,16,18)
InChIKeyKSQXCUJLFFIGSH-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 5177104
1-(1-Morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
1-Cyclohexyl-3-(2-morpholino-2-(thiophen-2-yl)ethyl)urea
CID 18588966
1-(2-Methoxyethyl)-3-(1-(thiophen-2-yl)propan-2-yl)urea
CID 45504424
1-(2-methoxyethyl)-3-[(2S)-1-thiophen-2-ylpropan-2-yl]urea
CID 51895051
1-Methyl-3-[2-(3-methylmorpholin-4-yl)propyl]-1-(2-thiophen-2-ylethyl)urea
CID 72116492
3-isopropyl-1-(tetrahydro-2H-pyran-4-yl)-1-(2-(thiophen-2-yl)ethyl)urea
CID 73167833
1-Cyclopropyl-3-(1,4-dioxan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 75404616
N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97078968
2,2,2-trifluoro-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2308046
2,2,2-trifluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2308047
2,2,2-trifluoro-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2308048

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide (CID 56863963) is N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide is O=C(NCCc1cccs1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is KSQXCUJLFFIGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)10-8-17(5-6-19-10)11(18)16-4-3-9-2-1-7-20-9/h1-2,7,10H,3-6,8H2,(H,16,18).
What are the key properties of N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide?
N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 308.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 56863963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).