N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide

C8H8F3NOS2 — CID 51081376

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1cccs1
InChIInChI=1S/C8H8F3NOS2/c9-8(10,11)15-5-3-12-7(13)6-2-1-4-14-6/h1-2,4H,3,5H2,(H,12,13)
InChIKeyCHSGDWDSABZLPR-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide

N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 51081376) has the molecular formula C8H8F3NOS2 and a molecular weight of 255.29 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID51081376
Molecular FormulaC8H8F3NOS2
Molecular Weight255.29 g/mol
Exact Mass255.00
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSC(F)(F)F)c1cccs1
InChIInChI=1S/C8H8F3NOS2/c9-8(10,11)15-5-3-12-7(13)6-2-1-4-14-6/h1-2,4H,3,5H2,(H,12,13)
InChIKeyCHSGDWDSABZLPR-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide (CID 51081376) is N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide is O=C(NCCSC(F)(F)F)c1cccs1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is CHSGDWDSABZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS2/c9-8(10,11)15-5-3-12-7(13)6-2-1-4-14-6/h1-2,4H,3,5H2,(H,12,13).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide?
N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 255.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51081376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).