2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde

C13H18F3NO2S — CID 158266558

IUPAC2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)C(=O)NCCc1cccs1.O=CC(F)(F)F
InChIInChI=1S/C11H17NOS.C2HF3O/c1-11(2,3)10(13)12-7-6-9-5-4-8-14-9;3-2(4,5)1-6/h4-5,8H,6-7H2,1-3H3,(H,12,13);1H
InChIKeyGIMZMGXVBOLYBQ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.20
Rot. Bonds3

About 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde

2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde (PubChem CID 158266558) has the molecular formula C13H18F3NO2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde
PubChem CID158266558
Molecular FormulaC13H18F3NO2S
Molecular Weight309.35 g/mol
Exact Mass309.10
IUPAC Name2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde
SMILESCC(C)(C)C(=O)NCCc1cccs1.O=CC(F)(F)F
InChIInChI=1S/C11H17NOS.C2HF3O/c1-11(2,3)10(13)12-7-6-9-5-4-8-14-9;3-2(4,5)1-6/h4-5,8H,6-7H2,1-3H3,(H,12,13);1H
InChIKeyGIMZMGXVBOLYBQ-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Icosa-5,8,11,14-tetraenoic acid (2-thiophen-2-yl-ethyl)-amide
CID 10949701
N-(3-Butoxypropyl)-2-(2-thienyl)acetamide
CID 2162137
N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 670146
2-Thiopheneacetamide, N-isobutyl-
CID 836216
2-Thiopheneacetamide, N-pentyl-
CID 2445132
N-(3-ethoxypropyl)-2-(2-thienyl)acetamide
CID 3668870
2-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 72947309
3,3-dimethyl-N-(2-thiophen-2-yl-ethyl)-butyramide
CID 45793475
2,2,2-trifluoro-N-[2-(thiophen-2-yl)ethyl]acetamide
CID 57130484
N-hexyl-2-(2-thienyl)acetamide
CID 3511449
N-heptyl-2-(thiophen-2-yl)acetamide
CID 4475838
N-[(2S)-1,1,1-trifluoro-3-thiophen-2-ylpropan-2-yl]acetamide
CID 134967095

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde (CID 158266558) is 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde is CC(C)(C)C(=O)NCCc1cccs1.O=CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde?
The InChIKey is GIMZMGXVBOLYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS.C2HF3O/c1-11(2,3)10(13)12-7-6-9-5-4-8-14-9;3-2(4,5)1-6/h4-5,8H,6-7H2,1-3H3,(H,12,13);1H.
What are the key properties of 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde?
2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 309.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-thiophen-2-ylethyl)propanamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158266558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).