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

C13H19F3N2OS — CID 51081003

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
SMILESCCN(CC)C(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)
InChIKeyLYVZNUYFRXUUKL-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.20
Rot. Bonds7

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

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide (PubChem CID 51081003) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
PubChem CID51081003
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
SMILESCCN(CC)C(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)
InChIKeyLYVZNUYFRXUUKL-UHFFFAOYSA-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

Analyze N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoroethyl N-[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamate
CID 47082433
N1-(2-(thiophen-3-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49752403
2,2,2-trifluoroethyl N-[3-[[2-(dimethylamino)-2-thiophen-3-ylethyl]amino]-3-oxopropyl]carbamate
CID 71685648
N-[2-[(3-ethylthiophen-2-yl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71972396
N-[Cyano(thiophen-3-YL)methyl]-3,3,3-trifluoropropanamide
CID 84583607
N-Isopropyl-2-(thiophen-3-YL)acetamide
CID 23548834
[2-Amino-1-(thiophen-3-yl)ethyl]diethylamine
CID 16785048
N-cyclopentyl-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8890905
N-(2-(dimethylamino)-2-(thiophen-3-yl)ethyl)cyclohexanecarboxamide
CID 16931131
N-[2-(dimethylamino)-2-(thiophen-3-yl)ethyl]-2-methylpropanamide
CID 16931186
2-ethyl-N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)butanamide
CID 16931406
N-(2-(4-methylpiperazin-1-yl)-2-(thiophen-3-yl)ethyl)cyclopentanecarboxamide
CID 16931412

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide (CID 51081003) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide is CCN(CC)C(CNC(=O)CC(F)(F)F)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
The InChIKey is LYVZNUYFRXUUKL-UHFFFAOYSA-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).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide?
N-[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-[2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 51081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).