N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide

C26H47NO5S — CID 171471410

IUPACN-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C26H47NO5S/c1-2-15-29-17-19-31-21-22-32-20-18-30-16-12-10-8-6-4-3-5-7-9-11-14-27-26(28)25-13-23-33-24-25/h13,23-24H,2-12,14-22H2,1H3,(H,27,28)
InChIKeyIIHZMKJMTJXMCK-UHFFFAOYSA-N
MW485.73 g/mol
LogP5.86
Rot. Bonds25

About N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide

N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471410) has the molecular formula C26H47NO5S and a molecular weight of 485.73 g/mol. Its IUPAC name is N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471410
Molecular FormulaC26H47NO5S
Molecular Weight485.73 g/mol
Exact Mass485.32
IUPAC NameN-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C26H47NO5S/c1-2-15-29-17-19-31-21-22-32-20-18-30-16-12-10-8-6-4-3-5-7-9-11-14-27-26(28)25-13-23-33-24-25/h13,23-24H,2-12,14-22H2,1H3,(H,27,28)
InChIKeyIIHZMKJMTJXMCK-UHFFFAOYSA-N
XLogP5.86
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.73
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471410) is N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is CCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is IIHZMKJMTJXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO5S/c1-2-15-29-17-19-31-21-22-32-20-18-30-16-12-10-8-6-4-3-5-7-9-11-14-27-26(28)25-13-23-33-24-25/h13,23-24H,2-12,14-22H2,1H3,(H,27,28).
What are the key properties of N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 485.73 g/mol, XLogP of 5.86, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is sourced from PubChem (CID 171471410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).