4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide

C11H14F3NOS — CID 67388559

IUPAC4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCCCCCc1cc(C(N)=O)sc1C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-2-3-4-5-7-6-8(10(15)16)17-9(7)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16)
InChIKeyIXDIYCUUKGCIII-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.60
Rot. Bonds5

About 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide

4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 67388559) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID67388559
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESCCCCCc1cc(C(N)=O)sc1C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-2-3-4-5-7-6-8(10(15)16)17-9(7)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16)
InChIKeyIXDIYCUUKGCIII-UHFFFAOYSA-N
XLogP3.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide (CID 67388559) is 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide is CCCCCc1cc(C(N)=O)sc1C(F)(F)F.
What is the InChIKey of 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is IXDIYCUUKGCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-2-3-4-5-7-6-8(10(15)16)17-9(7)11(12,13)14/h6H,2-5H2,1H3,(H2,15,16).
What are the key properties of 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide?
4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 67388559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).