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

C22H26N2O2S — CID 10221525

IUPAC4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCCCCCCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C22H26N2O2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)26-19-14-24-15-21-18(19)13-20(27-21)22(23)25/h9-15H,2-8H2,1H3,(H2,23,25)
InChIKeyOIHQEZCJZGBZER-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.09
Rot. Bonds10

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

4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 10221525) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID10221525
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCCCCCCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1
InChIInChI=1S/C22H26N2O2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)26-19-14-24-15-21-18(19)13-20(27-21)22(23)25/h9-15H,2-8H2,1H3,(H2,23,25)
InChIKeyOIHQEZCJZGBZER-UHFFFAOYSA-N
XLogP6.09
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide (CID 10221525) is 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide is CCCCCCCCc1ccc(Oc2cncc3sc(C(N)=O)cc23)cc1.
What is the InChIKey of 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is OIHQEZCJZGBZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)26-19-14-24-15-21-18(19)13-20(27-21)22(23)25/h9-15H,2-8H2,1H3,(H2,23,25).
What are the key properties of 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide?
4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-octylphenoxy)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 10221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).