N-dodecylthiophene-2-carboxamide

C17H29NOS — CID 3262100

IUPACN-dodecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C17H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-18-17(19)16-13-12-15-20-16/h12-13,15H,2-11,14H2,1H3,(H,18,19)
InChIKeyMVAJYWLPFBGQRH-UHFFFAOYSA-N
MW295.49 g/mol
LogP5.40
Rot. Bonds12

About N-dodecylthiophene-2-carboxamide

N-dodecylthiophene-2-carboxamide (PubChem CID 3262100) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-dodecylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-dodecylthiophene-2-carboxamide
PubChem CID3262100
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-dodecylthiophene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cccs1
InChIInChI=1S/C17H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-18-17(19)16-13-12-15-20-16/h12-13,15H,2-11,14H2,1H3,(H,18,19)
InChIKeyMVAJYWLPFBGQRH-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.49
LogP ≤ 55.40
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-dodecylthiophene-2-carboxamide?
The IUPAC name of N-dodecylthiophene-2-carboxamide (CID 3262100) is N-dodecylthiophene-2-carboxamide.
What is the SMILES notation for N-dodecylthiophene-2-carboxamide?
The canonical SMILES for N-dodecylthiophene-2-carboxamide is CCCCCCCCCCCCNC(=O)c1cccs1.
What is the InChIKey of N-dodecylthiophene-2-carboxamide?
The InChIKey is MVAJYWLPFBGQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-18-17(19)16-13-12-15-20-16/h12-13,15H,2-11,14H2,1H3,(H,18,19).
What are the key properties of N-dodecylthiophene-2-carboxamide?
N-dodecylthiophene-2-carboxamide has a molecular weight of 295.49 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylthiophene-2-carboxamide is sourced from PubChem (CID 3262100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).