(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C11H14F3NO2S — CID 94182107

IUPAC(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7-3-4-9(18-7)5-15-10(16)8(2)17-6-11(12,13)14/h3-4,8H,5-6H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyCOMRUZAPUHMDOX-QMMMGPOBSA-N
MW281.30 g/mol
LogP2.64
Rot. Bonds5

About (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94182107) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94182107
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Name(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-7-3-4-9(18-7)5-15-10(16)8(2)17-6-11(12,13)14/h3-4,8H,5-6H2,1-2H3,(H,15,16)/t8-/m0/s1
InChIKeyCOMRUZAPUHMDOX-QMMMGPOBSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94182107) is (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is Cc1ccc(CNC(=O)[C@H](C)OCC(F)(F)F)s1.
What is the InChIKey of (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is COMRUZAPUHMDOX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-7-3-4-9(18-7)5-15-10(16)8(2)17-6-11(12,13)14/h3-4,8H,5-6H2,1-2H3,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 281.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94182107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).