5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide

C10H14BrNO2S — CID 81055207

IUPAC5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeySYNRKNJEJFBVLV-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.62
Rot. Bonds5

About 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide

5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide (PubChem CID 81055207) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
PubChem CID81055207
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide
SMILESCCOCCN(C)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3
InChIKeySYNRKNJEJFBVLV-UHFFFAOYSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzamide
CID 81055309
5-bromo-N-(2-chloro-3-methoxypropyl)-N-methylthiophene-2-carboxamide
CID 63397906
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
2-bromo-N-(2-ethoxyethyl)-5-methoxy-N-methylbenzamide
CID 81056379
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
5-bromo-N-methyl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]-propylamino]ethyl]thiophene-2-carboxamide
CID 55892724

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide (CID 81055207) is 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide is CCOCCN(C)C(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is SYNRKNJEJFBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-14-7-6-12(2)10(13)8-4-5-9(11)15-8/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide?
5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-ethoxyethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81055207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).