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

C23H41NO5S — CID 171471405

IUPACN-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESO=C(NCCCCCCCCCCCCOCCOCCOCCO)c1ccsc1
InChIInChI=1S/C23H41NO5S/c25-13-15-28-17-19-29-18-16-27-14-10-8-6-4-2-1-3-5-7-9-12-24-23(26)22-11-20-30-21-22/h11,20-21,25H,1-10,12-19H2,(H,24,26)
InChIKeyZEONOISGUIXKLC-UHFFFAOYSA-N
MW443.65 g/mol
LogP4.42
Rot. Bonds22

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

N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471405) has the molecular formula C23H41NO5S and a molecular weight of 443.65 g/mol. Its IUPAC name is N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471405
Molecular FormulaC23H41NO5S
Molecular Weight443.65 g/mol
Exact Mass443.27
IUPAC NameN-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESO=C(NCCCCCCCCCCCCOCCOCCOCCO)c1ccsc1
InChIInChI=1S/C23H41NO5S/c25-13-15-28-17-19-29-18-16-27-14-10-8-6-4-2-1-3-5-7-9-12-24-23(26)22-11-20-30-21-22/h11,20-21,25H,1-10,12-19H2,(H,24,26)
InChIKeyZEONOISGUIXKLC-UHFFFAOYSA-N
XLogP4.42
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.65
LogP ≤ 54.42
H-Bond Donors ≤ 52
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-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471405) is N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is O=C(NCCCCCCCCCCCCOCCOCCOCCO)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is ZEONOISGUIXKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO5S/c25-13-15-28-17-19-29-18-16-27-14-10-8-6-4-2-1-3-5-7-9-12-24-23(26)22-11-20-30-21-22/h11,20-21,25H,1-10,12-19H2,(H,24,26).
What are the key properties of N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 443.65 g/mol, XLogP of 4.42, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is sourced from PubChem (CID 171471405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).