N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

C11H13F3N2O2S — CID 69184925

IUPACN-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C11H13F3N2O2S/c1-16(2)6-5-15-10(18)8-4-3-7(19-8)9(17)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,18)
InChIKeyZASRWBCOMSZLPD-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.78
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (PubChem CID 69184925) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
PubChem CID69184925
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(C(=O)C(F)(F)F)s1
InChIInChI=1S/C11H13F3N2O2S/c1-16(2)6-5-15-10(18)8-4-3-7(19-8)9(17)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,18)
InChIKeyZASRWBCOMSZLPD-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((5-(2-chloroacetyl)thiophen-2-yl)methyl)acetamide
CID 4962027
Thiophene derivative, 3d
CID 15984018
N-ethyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023795
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
N-benzyl-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44563197
N-[(5-Acetyl-2-thienyl)methyl]acetamide
CID 7131592
N-cyclohexyl-5-ethylthiophene-2-carboxamide
CID 1245810
N-[2-[2-(dibutylamino)ethylamino]-2-oxoethyl]-2-thiophenecarboxamide
CID 9551015
5-methyl-N-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
CID 24982119
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 25161814

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide (CID 69184925) is N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is CN(C)CCNC(=O)c1ccc(C(=O)C(F)(F)F)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
The InChIKey is ZASRWBCOMSZLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c1-16(2)6-5-15-10(18)8-4-3-7(19-8)9(17)11(12,13)14/h3-4H,5-6H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide is sourced from PubChem (CID 69184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).