2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

C9H9F3N2O2S — CID 134352894

IUPAC2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C9H9F3N2O2S/c1-4(15)14-8-6(7(13)16)2-5(17-8)3-9(10,11)12/h2H,3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZKVGZAPACAWBPQ-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.91
Rot. Bonds3

About 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide

2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (PubChem CID 134352894) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
PubChem CID134352894
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
SMILESCC(=O)Nc1sc(CC(F)(F)F)cc1C(N)=O
InChIInChI=1S/C9H9F3N2O2S/c1-4(15)14-8-6(7(13)16)2-5(17-8)3-9(10,11)12/h2H,3H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZKVGZAPACAWBPQ-UHFFFAOYSA-N
XLogP1.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tpca-1
CID 9903786
4-Ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-(Thiophene-2-amido)thiophene-3-carboxamide
CID 2971411
5-Benzyl-4-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675873
4-Ethyl-5-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide
CID 873623
2-Acetamido-5-propyl-3-thiophenecarboxamide
CID 1246587
2-Benzamido-5-phenylthiophene-3-carboxamide
CID 15920759
5-Benzyl-2-(butanoylamino)-4-methylthiophene-3-carboxamide
CID 695695
2-(3-Phenylpropanoylamino)thiophene-3-carboxamide
CID 2970548
N-[3-(aminocarbonyl)-4,5-dimethyl-2-thienyl]-2-thiophenecarboxamide
CID 673517
2-benzamido-N-methylthiophene-3-carboxamide
CID 5309978
2-(2-Phenylacetamido)thiophene-3-carboxamide
CID 7167021

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The IUPAC name of 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide (CID 134352894) is 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is CC(=O)Nc1sc(CC(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
The InChIKey is ZKVGZAPACAWBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c1-4(15)14-8-6(7(13)16)2-5(17-8)3-9(10,11)12/h2H,3H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide?
2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide has a molecular weight of 266.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-(2,2,2-trifluoroethyl)thiophene-3-carboxamide is sourced from PubChem (CID 134352894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).