N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide

C17H11F3N2O2S — CID 2814188

IUPACN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1cccs1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-4-13(9-11)24-15-7-6-12(10-21-15)22-16(23)14-5-2-8-25-14/h1-10H,(H,22,23)
InChIKeyUCYHXGMPKXJAMU-UHFFFAOYSA-N
MW364.35 g/mol
LogP5.21
Rot. Bonds4

About N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 2814188) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID2814188
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC NameN-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1cccs1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-4-13(9-11)24-15-7-6-12(10-21-15)22-16(23)14-5-2-8-25-14/h1-10H,(H,22,23)
InChIKeyUCYHXGMPKXJAMU-UHFFFAOYSA-N
XLogP5.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.35
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide (CID 2814188) is N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)c1cccs1.
What is the InChIKey of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is UCYHXGMPKXJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)11-3-1-4-13(9-11)24-15-7-6-12(10-21-15)22-16(23)14-5-2-8-25-14/h1-10H,(H,22,23).
What are the key properties of N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 2814188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).