4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide

C16H13N3O3S — CID 11120977

IUPAC4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)
InChIKeyHTOZHWWXFWCYGA-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.15
Rot. Bonds4

About 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide

4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 11120977) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID11120977
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20)
InChIKeyHTOZHWWXFWCYGA-UHFFFAOYSA-N
XLogP3.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 11120977) is 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide is CC(=O)Nc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1.
What is the InChIKey of 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HTOZHWWXFWCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-9(20)19-10-2-4-11(5-3-10)22-13-7-18-8-15-12(13)6-14(23-15)16(17)21/h2-8H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 11120977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).