N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C16H11F3N2O2S — CID 10089338

IUPACN-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1
InChIInChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
InChIKeyPEOGZQMDIONZGY-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.47
Rot. Bonds3

About N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10089338) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10089338
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC NameN-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1
InChIInChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22)
InChIKeyPEOGZQMDIONZGY-UHFFFAOYSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 10089338) is N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cncc2s1.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is PEOGZQMDIONZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-20-15(22)13-6-11-12(7-21-8-14(11)24-13)23-10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3,(H,20,22).
What are the key properties of N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(trifluoromethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).