N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C24H20FN3O3S — CID 86290417

IUPACN-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1
InChIInChI=1S/C24H20FN3O3S/c1-3-26-24(30)21-13-19-22(32-21)20(9-10-27-19)31-16-6-4-5-15(12-16)23(29)28-18-11-14(2)7-8-17(18)25/h4-13H,3H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyGSSGNGAODUGVCN-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.54
Rot. Bonds6

About N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290417) has the molecular formula C24H20FN3O3S and a molecular weight of 449.51 g/mol. Its IUPAC name is N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290417
Molecular FormulaC24H20FN3O3S
Molecular Weight449.51 g/mol
Exact Mass449.12
IUPAC NameN-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1
InChIInChI=1S/C24H20FN3O3S/c1-3-26-24(30)21-13-19-22(32-21)20(9-10-27-19)31-16-6-4-5-15(12-16)23(29)28-18-11-14(2)7-8-17(18)25/h4-13H,3H2,1-2H3,(H,26,30)(H,28,29)
InChIKeyGSSGNGAODUGVCN-UHFFFAOYSA-N
XLogP5.54
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290417) is N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is CCNC(=O)c1cc2nccc(Oc3cccc(C(=O)Nc4cc(C)ccc4F)c3)c2s1.
What is the InChIKey of N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is GSSGNGAODUGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3S/c1-3-26-24(30)21-13-19-22(32-21)20(9-10-27-19)31-16-6-4-5-15(12-16)23(29)28-18-11-14(2)7-8-17(18)25/h4-13H,3H2,1-2H3,(H,26,30)(H,28,29).
What are the key properties of N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[3-[(2-fluoro-5-methylphenyl)carbamoyl]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).