(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

C16H17F3N2OS — CID 25476161

IUPAC(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-11(21(2)9-12-6-7-23-10-12)15(22)20-14-5-3-4-13(8-14)16(17,18)19/h3-8,10-11H,9H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeySGVQNUIBOBISNN-LLVKDONJSA-N
MW342.39 g/mol
LogP4.23
Rot. Bonds5

About (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide

(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 25476161) has the molecular formula C16H17F3N2OS and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID25476161
Molecular FormulaC16H17F3N2OS
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1
InChIInChI=1S/C16H17F3N2OS/c1-11(21(2)9-12-6-7-23-10-12)15(22)20-14-5-3-4-13(8-14)16(17,18)19/h3-8,10-11H,9H2,1-2H3,(H,20,22)/t11-/m1/s1
InChIKeySGVQNUIBOBISNN-LLVKDONJSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 8925628
(2S)-N-(4-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]propanamide
CID 9054773
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
2-[methyl(thiophen-3-ylmethyl)amino]propanehydrazide
CID 55215186
methyl N-[(2S)-2-[methyl(thiophen-3-ylmethyl)amino]propanoyl]carbamate
CID 8925835
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
N-(1-thiophen-3-ylpropan-2-yl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540035
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42911485

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 25476161) is (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(C)Cc1ccsc1.
What is the InChIKey of (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SGVQNUIBOBISNN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F3N2OS/c1-11(21(2)9-12-6-7-23-10-12)15(22)20-14-5-3-4-13(8-14)16(17,18)19/h3-8,10-11H,9H2,1-2H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 342.39 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(thiophen-3-ylmethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 25476161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).