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

C11H15BrN2O2S — CID 23063724

IUPAC4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2O2S/c12-9-7-10(17-8-9)11(15)13-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H,13,15)
InChIKeyQHBIXXCFSHEBJY-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.57
Rot. Bonds4

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

4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 23063724) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID23063724
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Br)cs1
InChIInChI=1S/C11H15BrN2O2S/c12-9-7-10(17-8-9)11(15)13-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H,13,15)
InChIKeyQHBIXXCFSHEBJY-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 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 23063724) is 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is QHBIXXCFSHEBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c12-9-7-10(17-8-9)11(15)13-1-2-14-3-5-16-6-4-14/h7-8H,1-6H2,(H,13,15).
What are the key properties of 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
4-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 4-bromo-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 23063724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).