7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid

C20H14N2O5S — CID 86290323

IUPAC7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)O)sc23)c1
InChIInChI=1S/C20H14N2O5S/c1-11-6-8-26-17(11)19(23)22-12-3-2-4-13(9-12)27-15-5-7-21-14-10-16(20(24)25)28-18(14)15/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyHCJNEDMEQGKAIZ-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.94
Rot. Bonds5

About 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid

7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid (PubChem CID 86290323) has the molecular formula C20H14N2O5S and a molecular weight of 394.41 g/mol. Its IUPAC name is 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
PubChem CID86290323
Molecular FormulaC20H14N2O5S
Molecular Weight394.41 g/mol
Exact Mass394.06
IUPAC Name7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)O)sc23)c1
InChIInChI=1S/C20H14N2O5S/c1-11-6-8-26-17(11)19(23)22-12-3-2-4-13(9-12)27-15-5-7-21-14-10-16(20(24)25)28-18(14)15/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyHCJNEDMEQGKAIZ-UHFFFAOYSA-N
XLogP4.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid (CID 86290323) is 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc3cc(C(=O)O)sc23)c1.
What is the InChIKey of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is HCJNEDMEQGKAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5S/c1-11-6-8-26-17(11)19(23)22-12-3-2-4-13(9-12)27-15-5-7-21-14-10-16(20(24)25)28-18(14)15/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid?
7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 394.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]thieno[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 86290323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).