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

C32H59NO5S — CID 171471399

IUPACN-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCCCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C32H59NO5S/c1-2-3-4-5-11-14-17-21-35-23-25-37-27-28-38-26-24-36-22-18-15-12-9-7-6-8-10-13-16-20-33-32(34)31-19-29-39-30-31/h19,29-30H,2-18,20-28H2,1H3,(H,33,34)
InChIKeyBXPFEOFDLOPYHV-UHFFFAOYSA-N
MW569.89 g/mol
LogP8.20
Rot. Bonds31

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

N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (PubChem CID 171471399) has the molecular formula C32H59NO5S and a molecular weight of 569.89 g/mol. Its IUPAC name is N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
PubChem CID171471399
Molecular FormulaC32H59NO5S
Molecular Weight569.89 g/mol
Exact Mass569.41
IUPAC NameN-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
SMILESCCCCCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1
InChIInChI=1S/C32H59NO5S/c1-2-3-4-5-11-14-17-21-35-23-25-37-27-28-38-26-24-36-22-18-15-12-9-7-6-8-10-13-16-20-33-32(34)31-19-29-39-30-31/h19,29-30H,2-18,20-28H2,1H3,(H,33,34)
InChIKeyBXPFEOFDLOPYHV-UHFFFAOYSA-N
XLogP8.20
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.89
LogP ≤ 58.20
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-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide (CID 171471399) is N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is CCCCCCCCCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1.
What is the InChIKey of N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
The InChIKey is BXPFEOFDLOPYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59NO5S/c1-2-3-4-5-11-14-17-21-35-23-25-37-27-28-38-26-24-36-22-18-15-12-9-7-6-8-10-13-16-20-33-32(34)31-19-29-39-30-31/h19,29-30H,2-18,20-28H2,1H3,(H,33,34).
What are the key properties of N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide?
N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide has a molecular weight of 569.89 g/mol, XLogP of 8.20, 31 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-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide is sourced from PubChem (CID 171471399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).