5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C11H14F3NOS — CID 58458793

IUPAC5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCc1cc(C)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-3-4-8-5-7(2)17-9(8)10(16)15-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyVKWVZVJVVDICDG-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.30
Rot. Bonds4

About 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 58458793) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID58458793
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCc1cc(C)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-3-4-8-5-7(2)17-9(8)10(16)15-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyVKWVZVJVVDICDG-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 58458793) is 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCc1cc(C)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is VKWVZVJVVDICDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-3-4-8-5-7(2)17-9(8)10(16)15-6-11(12,13)14/h5H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 58458793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).