N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

C20H13F3N2O2S2 — CID 1471994

IUPACN-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1
InChIInChI=1S/C20H13F3N2O2S2/c1-27-13-6-4-12(5-7-13)25-19(26)18-16(14-3-2-8-28-14)17-15(29-18)9-11(10-24-17)20(21,22)23/h2-10H,1H3,(H,25,26)
InChIKeyXKTDIJQGUBASII-UHFFFAOYSA-N
MW434.46 g/mol
LogP6.30
Rot. Bonds4

About N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide

N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 1471994) has the molecular formula C20H13F3N2O2S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID1471994
Molecular FormulaC20H13F3N2O2S2
Molecular Weight434.46 g/mol
Exact Mass434.04
IUPAC NameN-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1
InChIInChI=1S/C20H13F3N2O2S2/c1-27-13-6-4-12(5-7-13)25-19(26)18-16(14-3-2-8-28-14)17-15(29-18)9-11(10-24-17)20(21,22)23/h2-10H,1H3,(H,25,26)
InChIKeyXKTDIJQGUBASII-UHFFFAOYSA-N
XLogP6.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide (CID 1471994) is N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is COc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is XKTDIJQGUBASII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2S2/c1-27-13-6-4-12(5-7-13)25-19(26)18-16(14-3-2-8-28-14)17-15(29-18)9-11(10-24-17)20(21,22)23/h2-10H,1H3,(H,25,26).
What are the key properties of N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide?
N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 1471994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).