N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide

C15H15F3N2OS — CID 86908674

IUPACN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H15F3N2OS/c1-10(13-6-3-7-22-13)20-14(21)9-19-12-5-2-4-11(8-12)15(16,17)18/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyNRONLPBGHXBDRK-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.06
Rot. Bonds5

About N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide

N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 86908674) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID86908674
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCC(NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C15H15F3N2OS/c1-10(13-6-3-7-22-13)20-14(21)9-19-12-5-2-4-11(8-12)15(16,17)18/h2-8,10,19H,9H2,1H3,(H,20,21)
InChIKeyNRONLPBGHXBDRK-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
N-[3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 56538607
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-thiophen-2-yl-2-[3-(trifluoromethyl)anilino]acetamide
CID 69003466
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 86908674) is N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide is CC(NC(=O)CNc1cccc(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NRONLPBGHXBDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-10(13-6-3-7-22-13)20-14(21)9-19-12-5-2-4-11(8-12)15(16,17)18/h2-8,10,19H,9H2,1H3,(H,20,21).
What are the key properties of N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 328.36 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 86908674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).