N-cyclooctylthiophene-2-carboxamide

C13H19NOS — CID 673377

IUPACN-cyclooctylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS/c15-13(12-9-6-10-16-12)14-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H,14,15)
InChIKeyNYDZNLWERBFFRH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.59
Rot. Bonds2

About N-cyclooctylthiophene-2-carboxamide

N-cyclooctylthiophene-2-carboxamide (PubChem CID 673377) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-cyclooctylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclooctylthiophene-2-carboxamide
PubChem CID673377
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-cyclooctylthiophene-2-carboxamide
SMILESO=C(NC1CCCCCCC1)c1cccs1
InChIInChI=1S/C13H19NOS/c15-13(12-9-6-10-16-12)14-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H,14,15)
InChIKeyNYDZNLWERBFFRH-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylthiophene-2-carboxamide?
The IUPAC name of N-cyclooctylthiophene-2-carboxamide (CID 673377) is N-cyclooctylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclooctylthiophene-2-carboxamide?
The canonical SMILES for N-cyclooctylthiophene-2-carboxamide is O=C(NC1CCCCCCC1)c1cccs1.
What is the InChIKey of N-cyclooctylthiophene-2-carboxamide?
The InChIKey is NYDZNLWERBFFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c15-13(12-9-6-10-16-12)14-11-7-4-2-1-3-5-8-11/h6,9-11H,1-5,7-8H2,(H,14,15).
What are the key properties of N-cyclooctylthiophene-2-carboxamide?
N-cyclooctylthiophene-2-carboxamide has a molecular weight of 237.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylthiophene-2-carboxamide is sourced from PubChem (CID 673377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).