4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

C21H22N4O4S — CID 11122788

IUPAC4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C21H22N4O4S/c22-20(26)18-11-16-17(12-23-13-19(16)30-18)29-15-3-1-14(2-4-15)21(27)24-5-6-25-7-9-28-10-8-25/h1-4,11-13H,5-10H2,(H2,22,26)(H,24,27)
InChIKeyQUIFQBCVAANHQK-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.25
Rot. Bonds7

About 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide

4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11122788) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID11122788
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide
SMILESNC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1
InChIInChI=1S/C21H22N4O4S/c22-20(26)18-11-16-17(12-23-13-19(16)30-18)29-15-3-1-14(2-4-15)21(27)24-5-6-25-7-9-28-10-8-25/h1-4,11-13H,5-10H2,(H2,22,26)(H,24,27)
InChIKeyQUIFQBCVAANHQK-UHFFFAOYSA-N
XLogP2.25
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide (CID 11122788) is 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is NC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1.
What is the InChIKey of 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QUIFQBCVAANHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c22-20(26)18-11-16-17(12-23-13-19(16)30-18)29-15-3-1-14(2-4-15)21(27)24-5-6-25-7-9-28-10-8-25/h1-4,11-13H,5-10H2,(H2,22,26)(H,24,27).
What are the key properties of 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide?
4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-morpholin-4-ylethylcarbamoyl)phenoxy]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11122788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).