4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C12H17F3N2OS — CID 61105280

IUPAC4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C12H17F3N2OS/c1-3-4-5-17(7-12(13,14)15)11(18)10-6-9(16)8(2)19-10/h6H,3-5,7,16H2,1-2H3
InChIKeyWTFUZNYPVIHAJX-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.44
Rot. Bonds5

About 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61105280) has the molecular formula C12H17F3N2OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61105280
Molecular FormulaC12H17F3N2OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C12H17F3N2OS/c1-3-4-5-17(7-12(13,14)15)11(18)10-6-9(16)8(2)19-10/h6H,3-5,7,16H2,1-2H3
InChIKeyWTFUZNYPVIHAJX-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61105280) is 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is WTFUZNYPVIHAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2OS/c1-3-4-5-17(7-12(13,14)15)11(18)10-6-9(16)8(2)19-10/h6H,3-5,7,16H2,1-2H3.
What are the key properties of 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61105280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).