5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C19H15F3N2O2S — CID 117087138

IUPAC5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cn1
InChIInChI=1S/C19H15F3N2O2S/c1-26-17-8-5-13(11-23-17)15-6-7-16(27-15)18(25)24-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,24,25)
InChIKeyPUGFUFWCSKFEKO-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.77
Rot. Bonds5

About 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 117087138) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID117087138
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cn1
InChIInChI=1S/C19H15F3N2O2S/c1-26-17-8-5-13(11-23-17)15-6-7-16(27-15)18(25)24-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,24,25)
InChIKeyPUGFUFWCSKFEKO-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 117087138) is 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is COc1ccc(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)s2)cn1.
What is the InChIKey of 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PUGFUFWCSKFEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-26-17-8-5-13(11-23-17)15-6-7-16(27-15)18(25)24-10-12-3-2-4-14(9-12)19(20,21)22/h2-9,11H,10H2,1H3,(H,24,25).
What are the key properties of 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 117087138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).