N-nonylthiophene-2-carboxamide

C14H23NOS — CID 4306136

IUPACN-nonylthiophene-2-carboxamide
SMILESCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-2-3-4-5-6-7-8-11-15-14(16)13-10-9-12-17-13/h9-10,12H,2-8,11H2,1H3,(H,15,16)
InChIKeyXRGPFRYCCDCHDO-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.23
Rot. Bonds9

About N-nonylthiophene-2-carboxamide

N-nonylthiophene-2-carboxamide (PubChem CID 4306136) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-nonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-nonylthiophene-2-carboxamide
PubChem CID4306136
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-nonylthiophene-2-carboxamide
SMILESCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C14H23NOS/c1-2-3-4-5-6-7-8-11-15-14(16)13-10-9-12-17-13/h9-10,12H,2-8,11H2,1H3,(H,15,16)
InChIKeyXRGPFRYCCDCHDO-UHFFFAOYSA-N
XLogP4.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-nonylthiophene-2-carboxamide?
The IUPAC name of N-nonylthiophene-2-carboxamide (CID 4306136) is N-nonylthiophene-2-carboxamide.
What is the SMILES notation for N-nonylthiophene-2-carboxamide?
The canonical SMILES for N-nonylthiophene-2-carboxamide is CCCCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-nonylthiophene-2-carboxamide?
The InChIKey is XRGPFRYCCDCHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-3-4-5-6-7-8-11-15-14(16)13-10-9-12-17-13/h9-10,12H,2-8,11H2,1H3,(H,15,16).
What are the key properties of N-nonylthiophene-2-carboxamide?
N-nonylthiophene-2-carboxamide has a molecular weight of 253.41 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonylthiophene-2-carboxamide is sourced from PubChem (CID 4306136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).