N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide

C13H19F3N2OS — CID 94119134

IUPACN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
SMILESCCN(CC)[C@H](CNC(=O)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C13H19F3N2OS/c1-3-18(4-2)11(10-5-6-20-9-10)8-17-12(19)7-13(14,15)16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyLYVZNUYFRXUUKL-LLVKDONJSA-N
MW308.37 g/mol
LogP3.20
Rot. Bonds7

About N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide

N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide (PubChem CID 94119134) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
PubChem CID94119134
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
SMILESCCN(CC)[C@H](CNC(=O)CC(F)(F)F)c1ccsc1
InChIInChI=1S/C13H19F3N2OS/c1-3-18(4-2)11(10-5-6-20-9-10)8-17-12(19)7-13(14,15)16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyLYVZNUYFRXUUKL-LLVKDONJSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylpropanamide;dihydrochloride
CID 120595403
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471098
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
CID 60510794
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60510595
N-tert-butyl-2-[[N-[2-(diethylamino)-2-thiophen-3-ylethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383191
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 119849788
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-phenylacetamide;dihydrochloride
CID 119849729
1-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 119849782
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46470417
2-[(4-bromophenyl)methylsulfonyl]-N-[2-(diethylamino)-2-thiophen-3-ylethyl]acetamide
CID 112827263
2-amino-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669669

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide (CID 94119134) is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide is CCN(CC)[C@H](CNC(=O)CC(F)(F)F)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The InChIKey is LYVZNUYFRXUUKL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-3-18(4-2)11(10-5-6-20-9-10)8-17-12(19)7-13(14,15)16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide has a molecular weight of 308.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 94119134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).