2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide

C17H19F3N2OS — CID 55544038

IUPAC2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2OS/c1-12(16(23)21-10-14-7-5-9-24-14)22(2)11-13-6-3-4-8-15(13)17(18,19)20/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyZYZUHZWXWCSXIA-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.90
Rot. Bonds6

About 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide

2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 55544038) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID55544038
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC Name2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H19F3N2OS/c1-12(16(23)21-10-14-7-5-9-24-14)22(2)11-13-6-3-4-8-15(13)17(18,19)20/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyZYZUHZWXWCSXIA-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[methyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 95236096
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 17437833
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 86909979
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 111750360
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
N-(2-aminophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]propanamide
CID 43527265
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24681595
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide (CID 55544038) is 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is ZYZUHZWXWCSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-12(16(23)21-10-14-7-5-9-24-14)22(2)11-13-6-3-4-8-15(13)17(18,19)20/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide?
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 356.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 55544038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).