5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C11H15BrN2O2S — CID 17217344

IUPAC5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c12-10-2-1-9(17-10)11(15)13-3-4-14-5-7-16-8-6-14/h1-2H,3-8H2,(H,13,15)
InChIKeyZIJPIRNYQMYADV-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.57
Rot. Bonds4

About 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 17217344) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID17217344
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c12-10-2-1-9(17-10)11(15)13-3-4-14-5-7-16-8-6-14/h1-2H,3-8H2,(H,13,15)
InChIKeyZIJPIRNYQMYADV-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 17217344) is 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is ZIJPIRNYQMYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-10-2-1-9(17-10)11(15)13-3-4-14-5-7-16-8-6-14/h1-2H,3-8H2,(H,13,15).
What are the key properties of 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 319.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 17217344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).