N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

C22H19N3O4S — CID 86290324

IUPACN-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
InChIInChI=1S/C22H19N3O4S/c1-3-23-21(26)18-12-16-20(30-18)17(7-9-24-16)29-15-6-4-5-14(11-15)25-22(27)19-13(2)8-10-28-19/h4-12H,3H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyRLAISKQYVHVVAQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.99
Rot. Bonds6

About N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide

N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 86290324) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
PubChem CID86290324
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
InChIInChI=1S/C22H19N3O4S/c1-3-23-21(26)18-12-16-20(30-18)17(7-9-24-16)29-15-6-4-5-14(11-15)25-22(27)19-13(2)8-10-28-19/h4-12H,3H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyRLAISKQYVHVVAQ-UHFFFAOYSA-N
XLogP4.99
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide (CID 86290324) is N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is CCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1.
What is the InChIKey of N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is RLAISKQYVHVVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-3-23-21(26)18-12-16-20(30-18)17(7-9-24-16)29-15-6-4-5-14(11-15)25-22(27)19-13(2)8-10-28-19/h4-12H,3H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide?
N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 86290324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).