2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

C11H15F3N2OS — CID 54962058

IUPAC2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H15F3N2OS/c1-7-3-4-9(18-7)8(2)15-5-10(17)16-6-11(12,13)14/h3-4,8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyMZAJCLCDXYMREO-UHFFFAOYSA-N
MW280.31 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962058) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962058
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC Name2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(C)NCC(=O)NCC(F)(F)F)s1
InChIInChI=1S/C11H15F3N2OS/c1-7-3-4-9(18-7)8(2)15-5-10(17)16-6-11(12,13)14/h3-4,8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyMZAJCLCDXYMREO-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
2,2-difluoro-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860525
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
N-(2-bromophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 61474369
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
2,2,2-trifluoroethyl N-[3-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 94669641
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-tert-butyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 81296864

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 54962058) is 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(C(C)NCC(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MZAJCLCDXYMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-7-3-4-9(18-7)8(2)15-5-10(17)16-6-11(12,13)14/h3-4,8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).