N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide

C20H35NO3S — CID 167233678

IUPACN-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide
SMILESCCOCCOCC(C)(C)CC(C)(C)CCNC(=O)c1cscc1C
InChIInChI=1S/C20H35NO3S/c1-7-23-10-11-24-15-20(5,6)14-19(3,4)8-9-21-18(22)17-13-25-12-16(17)2/h12-13H,7-11,14-15H2,1-6H3,(H,21,22)
InChIKeyGFSWEEZSKQDFMV-UHFFFAOYSA-N
MW369.57 g/mol
LogP4.67
Rot. Bonds12

About N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide

N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide (PubChem CID 167233678) has the molecular formula C20H35NO3S and a molecular weight of 369.57 g/mol. Its IUPAC name is N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide
PubChem CID167233678
Molecular FormulaC20H35NO3S
Molecular Weight369.57 g/mol
Exact Mass369.23
IUPAC NameN-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide
SMILESCCOCCOCC(C)(C)CC(C)(C)CCNC(=O)c1cscc1C
InChIInChI=1S/C20H35NO3S/c1-7-23-10-11-24-15-20(5,6)14-19(3,4)8-9-21-18(22)17-13-25-12-16(17)2/h12-13H,7-11,14-15H2,1-6H3,(H,21,22)
InChIKeyGFSWEEZSKQDFMV-UHFFFAOYSA-N
XLogP4.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide (CID 167233678) is N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide is CCOCCOCC(C)(C)CC(C)(C)CCNC(=O)c1cscc1C.
What is the InChIKey of N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide?
The InChIKey is GFSWEEZSKQDFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO3S/c1-7-23-10-11-24-15-20(5,6)14-19(3,4)8-9-21-18(22)17-13-25-12-16(17)2/h12-13H,7-11,14-15H2,1-6H3,(H,21,22).
What are the key properties of N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide?
N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide has a molecular weight of 369.57 g/mol, XLogP of 4.67, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethoxyethoxy)-3,3,5,5-tetramethylhexyl]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 167233678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).