N-hexadecylthiophene-2-carboxamide

C21H37NOS — CID 3323938

IUPACN-hexadecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C21H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21(23)20-17-16-19-24-20/h16-17,19H,2-15,18H2,1H3,(H,22,23)
InChIKeyPFEIQWCVFBJEBU-UHFFFAOYSA-N
MW351.60 g/mol
LogP6.96
Rot. Bonds16

About N-hexadecylthiophene-2-carboxamide

N-hexadecylthiophene-2-carboxamide (PubChem CID 3323938) has the molecular formula C21H37NOS and a molecular weight of 351.60 g/mol. Its IUPAC name is N-hexadecylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-hexadecylthiophene-2-carboxamide
PubChem CID3323938
Molecular FormulaC21H37NOS
Molecular Weight351.60 g/mol
Exact Mass351.26
IUPAC NameN-hexadecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C21H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21(23)20-17-16-19-24-20/h16-17,19H,2-15,18H2,1H3,(H,22,23)
InChIKeyPFEIQWCVFBJEBU-UHFFFAOYSA-N
XLogP6.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.60
LogP ≤ 56.96
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-hexadecylthiophene-2-carboxamide?
The IUPAC name of N-hexadecylthiophene-2-carboxamide (CID 3323938) is N-hexadecylthiophene-2-carboxamide.
What is the SMILES notation for N-hexadecylthiophene-2-carboxamide?
The canonical SMILES for N-hexadecylthiophene-2-carboxamide is CCCCCCCCCCCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-hexadecylthiophene-2-carboxamide?
The InChIKey is PFEIQWCVFBJEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NOS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-21(23)20-17-16-19-24-20/h16-17,19H,2-15,18H2,1H3,(H,22,23).
What are the key properties of N-hexadecylthiophene-2-carboxamide?
N-hexadecylthiophene-2-carboxamide has a molecular weight of 351.60 g/mol, XLogP of 6.96, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylthiophene-2-carboxamide is sourced from PubChem (CID 3323938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).