N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide

C14H12F4N2O3S2 — CID 133283504

IUPACN-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H12F4N2O3S2/c15-9-3-4-10(12(8-9)25(22,23)14(16,17)18)19-5-6-20-13(21)11-2-1-7-24-11/h1-4,7-8,19H,5-6H2,(H,20,21)
InChIKeyUPJURNPHKSZUDJ-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide

N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide (PubChem CID 133283504) has the molecular formula C14H12F4N2O3S2 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide
PubChem CID133283504
Molecular FormulaC14H12F4N2O3S2
Molecular Weight396.39 g/mol
Exact Mass396.02
IUPAC NameN-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C14H12F4N2O3S2/c15-9-3-4-10(12(8-9)25(22,23)14(16,17)18)19-5-6-20-13(21)11-2-1-7-24-11/h1-4,7-8,19H,5-6H2,(H,20,21)
InChIKeyUPJURNPHKSZUDJ-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
N-[2-(3,5-difluorophenyl)ethyl]thiophene-2-carboxamide
CID 62295549
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543
ethyl 2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]acetate
CID 62892305
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N,N-dimethylacetamide
CID 62867932
2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-N-(2-methylpropyl)acetamide
CID 133284643
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide (CID 133283504) is N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide is O=C(NCCNc1ccc(F)cc1S(=O)(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide?
The InChIKey is UPJURNPHKSZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O3S2/c15-9-3-4-10(12(8-9)25(22,23)14(16,17)18)19-5-6-20-13(21)11-2-1-7-24-11/h1-4,7-8,19H,5-6H2,(H,20,21).
What are the key properties of N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide?
N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 133283504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).