5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide

C11H16BrNO3S — CID 79965145

IUPAC5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
SMILESCOCCOCCNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO3S/c1-8-7-9(17-10(8)12)11(14)13-3-4-16-6-5-15-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyPAAQMEJXLOPODD-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.21
Rot. Bonds7

About 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 79965145) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
PubChem CID79965145
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
SMILESCOCCOCCNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H16BrNO3S/c1-8-7-9(17-10(8)12)11(14)13-3-4-16-6-5-15-2/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyPAAQMEJXLOPODD-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 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 ≤ 52.21
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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Related Compounds

5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
N-(5-amino-5-oxopentyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 103896394
5-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylthiophene-2-carboxamide
CID 79964067
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylbenzamide
CID 79466673
5-bromo-4-methyl-N-(5,5,5-trifluoropentyl)thiophene-2-carboxamide
CID 115491639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide (CID 79965145) is 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide is COCCOCCNC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is PAAQMEJXLOPODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-8-7-9(17-10(8)12)11(14)13-3-4-16-6-5-15-2/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 322.22 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79965145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).