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

C24H43NO5S — CID 171471408

IUPACN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C24H43NO5S/c1-27-15-16-29-19-20-30-18-17-28-14-11-9-7-5-3-2-4-6-8-10-13-25-24(26)23-12-21-31-22-23/h12,21-22H,2-11,13-20H2,1H3,(H,25,26)
InChIKeyMPALILWDOIPHDH-UHFFFAOYSA-N
MW457.68 g/mol
LogP5.08
Rot. Bonds23

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

N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471408) has the molecular formula C24H43NO5S and a molecular weight of 457.68 g/mol. Its IUPAC name is N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471408
Molecular FormulaC24H43NO5S
Molecular Weight457.68 g/mol
Exact Mass457.29
IUPAC NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C24H43NO5S/c1-27-15-16-29-19-20-30-18-17-28-14-11-9-7-5-3-2-4-6-8-10-13-25-24(26)23-12-21-31-22-23/h12,21-22H,2-11,13-20H2,1H3,(H,25,26)
InChIKeyMPALILWDOIPHDH-UHFFFAOYSA-N
XLogP5.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.68
LogP ≤ 55.08
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]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471408) is N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is COCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is MPALILWDOIPHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO5S/c1-27-15-16-29-19-20-30-18-17-28-14-11-9-7-5-3-2-4-6-8-10-13-25-24(26)23-12-21-31-22-23/h12,21-22H,2-11,13-20H2,1H3,(H,25,26).
What are the key properties of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 457.68 g/mol, XLogP of 5.08, 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]thiophene-3-carboxamide is sourced from PubChem (CID 171471408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).