(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide

C15H15F3N2O2S — CID 25411323

IUPAC(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESC[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C15H15F3N2O2S/c1-10(14(21)19-9-13-3-2-8-23-13)20-11-4-6-12(7-5-11)22-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyWFQBYPHJXDKZIN-JTQLQIEISA-N
MW344.36 g/mol
LogP3.76
Rot. Bonds6

About (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide

(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide (PubChem CID 25411323) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
PubChem CID25411323
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESC[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cccs1
InChIInChI=1S/C15H15F3N2O2S/c1-10(14(21)19-9-13-3-2-8-23-13)20-11-4-6-12(7-5-11)22-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyWFQBYPHJXDKZIN-JTQLQIEISA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 17423599
(2S)-2-(4-piperidin-1-ylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 40809511
(2S)-2-(3-methylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 94821156
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469
N-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]thiophene-2-carboxamide
CID 42929714
2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 42994656
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide (CID 25411323) is (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide is C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The InChIKey is WFQBYPHJXDKZIN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-10(14(21)19-9-13-3-2-8-23-13)20-11-4-6-12(7-5-11)22-15(16,17)18/h2-8,10,20H,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
(2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide has a molecular weight of 344.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 25411323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).