N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide

C25H45NO5S — CID 171471389

IUPACN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1cscc1C
InChIInChI=1S/C25H45NO5S/c1-23-21-32-22-24(23)25(27)26-13-11-9-7-5-3-4-6-8-10-12-14-29-17-18-31-20-19-30-16-15-28-2/h21-22H,3-20H2,1-2H3,(H,26,27)
InChIKeyTWCXRKJOQQQGJS-UHFFFAOYSA-N
MW471.70 g/mol
LogP5.38
Rot. Bonds23

About N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide

N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide (PubChem CID 171471389) has the molecular formula C25H45NO5S and a molecular weight of 471.70 g/mol. Its IUPAC name is N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide
PubChem CID171471389
Molecular FormulaC25H45NO5S
Molecular Weight471.70 g/mol
Exact Mass471.30
IUPAC NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1cscc1C
InChIInChI=1S/C25H45NO5S/c1-23-21-32-22-24(23)25(27)26-13-11-9-7-5-3-4-6-8-10-12-14-29-17-18-31-20-19-30-16-15-28-2/h21-22H,3-20H2,1-2H3,(H,26,27)
InChIKeyTWCXRKJOQQQGJS-UHFFFAOYSA-N
XLogP5.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.70
LogP ≤ 55.38
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-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide (CID 171471389) is N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide is COCCOCCOCCOCCCCCCCCCCCCNC(=O)c1cscc1C.
What is the InChIKey of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide?
The InChIKey is TWCXRKJOQQQGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO5S/c1-23-21-32-22-24(23)25(27)26-13-11-9-7-5-3-4-6-8-10-12-14-29-17-18-31-20-19-30-16-15-28-2/h21-22H,3-20H2,1-2H3,(H,26,27).
What are the key properties of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide?
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide has a molecular weight of 471.70 g/mol, XLogP of 5.38, 23 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-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 171471389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).