2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H12F3NO3S — CID 79258299

IUPAC2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-7-3-4-8(19-7)10(18)15(5-9(16)17)6-11(12,13)14/h3-4H,2,5-6H2,1H3,(H,16,17)
InChIKeyQGKHZPSAHMGXMA-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.40
Rot. Bonds5

About 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258299) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258299
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Name2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCc1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-7-3-4-8(19-7)10(18)15(5-9(16)17)6-11(12,13)14/h3-4H,2,5-6H2,1H3,(H,16,17)
InChIKeyQGKHZPSAHMGXMA-UHFFFAOYSA-N
XLogP2.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid 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-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
2-[(3-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261549
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
2-[(5-chlorofuran-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990162
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990322
N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
CID 76929157
2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-5-ethylthiophene-2-carboxamide
CID 107491880
2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiophene-2-carboxylic acid
CID 63377922

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258299) is 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCc1ccc(C(=O)N(CC(=O)O)CC(F)(F)F)s1.
What is the InChIKey of 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is QGKHZPSAHMGXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-2-7-3-4-8(19-7)10(18)15(5-9(16)17)6-11(12,13)14/h3-4H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 295.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).