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

C25H45NO5S — CID 171471390

IUPACN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1C
InChIInChI=1S/C25H45NO5S/c1-23-24(13-22-32-23)25(27)26-14-11-9-7-5-3-4-6-8-10-12-15-29-18-19-31-21-20-30-17-16-28-2/h13,22H,3-12,14-21H2,1-2H3,(H,26,27)
InChIKeyRXBYPDLLTRSGHP-UHFFFAOYSA-N
MW471.70 g/mol
LogP5.38
Rot. Bonds23

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

N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide (PubChem CID 171471390) 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]-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide
PubChem CID171471390
Molecular FormulaC25H45NO5S
Molecular Weight471.70 g/mol
Exact Mass471.30
IUPAC NameN-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide
SMILESCOCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1C
InChIInChI=1S/C25H45NO5S/c1-23-24(13-22-32-23)25(27)26-14-11-9-7-5-3-4-6-8-10-12-15-29-18-19-31-21-20-30-17-16-28-2/h13,22H,3-12,14-21H2,1-2H3,(H,26,27)
InChIKeyRXBYPDLLTRSGHP-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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Related Compounds

N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]thiophene-2-carboxamide
CID 4012567
N-[(11R)-11-hydroxy-11-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]undecyl]thiophene-2-carboxamide
CID 71680009
N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)thiophene-2-carboxamide
CID 899095
3-Methyl-N-[(4-methyloxan-4-YL)methyl]thiophene-2-carboxamide
CID 110875686
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-hexoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471394
N-[12-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471399
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
N-[12-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]dodecyl]thiophene-3-carboxamide
CID 171471410
beta-Alanine, N-(thiophene-2-carbonyl)-, heptyl ester
CID 91704914

Frequently Asked Questions

What is the IUPAC name of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide?
The IUPAC name of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide (CID 171471390) is N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide?
The canonical SMILES for N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide is COCCOCCOCCOCCCCCCCCCCCCNC(=O)c1ccsc1C.
What is the InChIKey of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide?
The InChIKey is RXBYPDLLTRSGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO5S/c1-23-24(13-22-32-23)25(27)26-14-11-9-7-5-3-4-6-8-10-12-15-29-18-19-31-21-20-30-17-16-28-2/h13,22H,3-12,14-21H2,1-2H3,(H,26,27).
What are the key properties of N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-methylthiophene-3-carboxamide?
N-[12-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl]-2-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]-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 171471390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).