N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

C19H11F3N2OS2 — CID 1471993

IUPACN-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1
InChIInChI=1S/C19H11F3N2OS2/c20-19(21,22)11-9-14-16(23-10-11)15(13-7-4-8-26-13)17(27-14)18(25)24-12-5-2-1-3-6-12/h1-10H,(H,24,25)
InChIKeyMYMPIJVBLUGSTL-UHFFFAOYSA-N
MW404.44 g/mol
LogP6.30
Rot. Bonds3

About N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 1471993) has the molecular formula C19H11F3N2OS2 and a molecular weight of 404.44 g/mol. Its IUPAC name is N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID1471993
Molecular FormulaC19H11F3N2OS2
Molecular Weight404.44 g/mol
Exact Mass404.03
IUPAC NameN-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1
InChIInChI=1S/C19H11F3N2OS2/c20-19(21,22)11-9-14-16(23-10-11)15(13-7-4-8-26-13)17(27-14)18(25)24-12-5-2-1-3-6-12/h1-10H,(H,24,25)
InChIKeyMYMPIJVBLUGSTL-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 1471993) is N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1.
What is the InChIKey of N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is MYMPIJVBLUGSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS2/c20-19(21,22)11-9-14-16(23-10-11)15(13-7-4-8-26-13)17(27-14)18(25)24-12-5-2-1-3-6-12/h1-10H,(H,24,25).
What are the key properties of N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 1471993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).