2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide

C10H13F3N2OS — CID 79812220

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H13F3N2OS/c1-6(7-3-4-17-5-7)15-8(16)9(2,14)10(11,12)13/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyHOPXWRLBYYVTQA-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.20
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide (PubChem CID 79812220) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
PubChem CID79812220
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)c1ccsc1
InChIInChI=1S/C10H13F3N2OS/c1-6(7-3-4-17-5-7)15-8(16)9(2,14)10(11,12)13/h3-6H,14H2,1-2H3,(H,15,16)
InChIKeyHOPXWRLBYYVTQA-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-N-(1-thiophen-3-ylethyl)propanamide
CID 62843521
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81376845
1-(1-thiophen-3-ylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 116655677
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
N-tert-butyl-2-(1-thiophen-3-ylethylamino)propanamide
CID 62841877
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
2-cyano-2-propyl-N-(1-thiophen-3-ylethyl)pentanamide
CID 62843352

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide (CID 79812220) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide is CC(NC(=O)C(C)(N)C(F)(F)F)c1ccsc1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide?
The InChIKey is HOPXWRLBYYVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-6(7-3-4-17-5-7)15-8(16)9(2,14)10(11,12)13/h3-6H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide has a molecular weight of 266.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 79812220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).