N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide

C24H34N2OS — CID 126486281

IUPACN-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
SMILESO=C(Nc1cnc2ccsc2c1C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C24H34N2OS/c27-24(19-13-9-5-2-6-10-14-19)26-21-17-25-20-15-16-28-23(20)22(21)18-11-7-3-1-4-8-12-18/h15-19H,1-14H2,(H,26,27)
InChIKeyJIOVLXYSUNLQRH-UHFFFAOYSA-N
MW398.62 g/mol
LogP7.42
Rot. Bonds3

About N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide

N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide (PubChem CID 126486281) has the molecular formula C24H34N2OS and a molecular weight of 398.62 g/mol. Its IUPAC name is N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
PubChem CID126486281
Molecular FormulaC24H34N2OS
Molecular Weight398.62 g/mol
Exact Mass398.24
IUPAC NameN-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
SMILESO=C(Nc1cnc2ccsc2c1C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C24H34N2OS/c27-24(19-13-9-5-2-6-10-14-19)26-21-17-25-20-15-16-28-23(20)22(21)18-11-7-3-1-4-8-12-18/h15-19H,1-14H2,(H,26,27)
InChIKeyJIOVLXYSUNLQRH-UHFFFAOYSA-N
XLogP7.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.62
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide?
The IUPAC name of N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide (CID 126486281) is N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide.
What is the SMILES notation for N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide?
The canonical SMILES for N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide is O=C(Nc1cnc2ccsc2c1C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide?
The InChIKey is JIOVLXYSUNLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2OS/c27-24(19-13-9-5-2-6-10-14-19)26-21-17-25-20-15-16-28-23(20)22(21)18-11-7-3-1-4-8-12-18/h15-19H,1-14H2,(H,26,27).
What are the key properties of N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide?
N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide has a molecular weight of 398.62 g/mol, XLogP of 7.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide is sourced from PubChem (CID 126486281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).