5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide

C11H16BrNO3S — CID 114263702

IUPAC5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
SMILESCCN(CCOCCO)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-2-13(3-5-16-6-4-14)11(15)9-7-10(12)17-8-9/h7-8,14H,2-6H2,1H3
InChIKeyGGMFCUVZOURARI-UHFFFAOYSA-N
MW322.22 g/mol
LogP1.98
Rot. Bonds7

About 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide

5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide (PubChem CID 114263702) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
PubChem CID114263702
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
SMILESCCN(CCOCCO)C(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO3S/c1-2-13(3-5-16-6-4-14)11(15)9-7-10(12)17-8-9/h7-8,14H,2-6H2,1H3
InChIKeyGGMFCUVZOURARI-UHFFFAOYSA-N
XLogP1.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 51.98
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 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide (CID 114263702) is 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide is CCN(CCOCCO)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
The InChIKey is GGMFCUVZOURARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-2-13(3-5-16-6-4-14)11(15)9-7-10(12)17-8-9/h7-8,14H,2-6H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide?
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide has a molecular weight of 322.22 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 114263702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).