N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide

C11H14F3NO3S — CID 111441578

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H14F3NO3S/c1-7(18-6-11(12,13)14)10(17)15-4-9(16)8-2-3-19-5-8/h2-3,5,7,9,16H,4,6H2,1H3,(H,15,17)
InChIKeyFISSXVJNHSXJCH-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.87
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 111441578) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID111441578
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C11H14F3NO3S/c1-7(18-6-11(12,13)14)10(17)15-4-9(16)8-2-3-19-5-8/h2-3,5,7,9,16H,4,6H2,1H3,(H,15,17)
InChIKeyFISSXVJNHSXJCH-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441401
2-(3-cyanophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 111441293
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
(2S)-2-benzyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 97234377
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 111441578) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NCC(O)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FISSXVJNHSXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-7(18-6-11(12,13)14)10(17)15-4-9(16)8-2-3-19-5-8/h2-3,5,7,9,16H,4,6H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 297.30 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 111441578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).