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

C29H53NO5S — CID 171471394

IUPACN-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C29H53NO5S/c1-2-3-4-14-18-32-20-22-34-24-25-35-23-21-33-19-15-12-10-8-6-5-7-9-11-13-17-30-29(31)28-16-26-36-27-28/h16,26-27H,2-15,17-25H2,1H3,(H,30,31)
InChIKeyHSNZJTITSMOXKS-UHFFFAOYSA-N
MW527.81 g/mol
LogP7.03
Rot. Bonds28

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

N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471394) has the molecular formula C29H53NO5S and a molecular weight of 527.81 g/mol. Its IUPAC name is N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471394
Molecular FormulaC29H53NO5S
Molecular Weight527.81 g/mol
Exact Mass527.36
IUPAC NameN-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C29H53NO5S/c1-2-3-4-14-18-32-20-22-34-24-25-35-23-21-33-19-15-12-10-8-6-5-7-9-11-13-17-30-29(31)28-16-26-36-27-28/h16,26-27H,2-15,17-25H2,1H3,(H,30,31)
InChIKeyHSNZJTITSMOXKS-UHFFFAOYSA-N
XLogP7.03
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.81
LogP ≤ 57.03
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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Related Compounds

N-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]thiophene-3-carboxamide
CID 71680010
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]thiophene-3-carboxamide
CID 71916049
N-[12-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471379
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-5-methylthiophene-3-carboxamide
CID 171471388
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-4-methylthiophene-3-carboxamide
CID 171471389
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide
CID 171471390
N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471399
5-bromo-N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471400
N-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471405
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471408
4-bromo-N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471409
N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471410

Frequently Asked Questions

What is the IUPAC name of N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471394) is N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is CCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is HSNZJTITSMOXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53NO5S/c1-2-3-4-14-18-32-20-22-34-24-25-35-23-21-33-19-15-12-10-8-6-5-7-9-11-13-17-30-29(31)28-16-26-36-27-28/h16,26-27H,2-15,17-25H2,1H3,(H,30,31).
What are the key properties of N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 527.81 g/mol, XLogP of 7.03, 28 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-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is sourced from PubChem (CID 171471394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).