5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide

C11H15BrN2O3S — CID 113252510

IUPAC5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrN2O3S/c1-7-5-8(18-10(7)12)11(16)14-6-9(15)13-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVYVMMVZUDKQICT-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.31
Rot. Bonds6

About 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide (PubChem CID 113252510) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
PubChem CID113252510
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C11H15BrN2O3S/c1-7-5-8(18-10(7)12)11(16)14-6-9(15)13-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVYVMMVZUDKQICT-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
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-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-N-(2,2-dimethoxyethyl)-4-methylthiophene-2-carboxamide
CID 79989675
5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 79929074
5-bromo-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79936109
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
5-bromo-N-(2-bromopropyl)-4-methylthiophene-2-carboxamide
CID 114308613
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-4-methylthiophene-2-carboxamide
CID 79947234
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
5-bromo-N-(2-chloropropyl)-4-methylthiophene-2-carboxamide
CID 114296326
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide (CID 113252510) is 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide is COCCNC(=O)CNC(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is VYVMMVZUDKQICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7-5-8(18-10(7)12)11(16)14-6-9(15)13-3-4-17-2/h5H,3-4,6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 335.22 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 113252510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).