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

C12H17BrN2O2S — CID 51078105

IUPAC5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c1-9(15-4-6-17-7-5-15)8-14-12(16)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyMKUCADNOIZFKLR-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.96
Rot. Bonds4

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

5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 51078105) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID51078105
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c1-9(15-4-6-17-7-5-15)8-14-12(16)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16)
InChIKeyMKUCADNOIZFKLR-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.96
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-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 51078105) is 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide is CC(CNC(=O)c1ccc(Br)s1)N1CCOCC1.
What is the InChIKey of 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is MKUCADNOIZFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-9(15-4-6-17-7-5-15)8-14-12(16)10-2-3-11(13)18-10/h2-3,9H,4-8H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide?
5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 333.25 g/mol, XLogP of 1.96, 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-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 51078105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).