2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide

C12H16BrNO2S — CID 71994844

IUPAC2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide
SMILESCC(C(=O)NC1CCCOC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-8(10-4-5-11(13)17-10)12(15)14-9-3-2-6-16-7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyMAGWOWVRUYPEHO-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide

2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide (PubChem CID 71994844) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide
PubChem CID71994844
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide
SMILESCC(C(=O)NC1CCCOC1)c1ccc(Br)s1
InChIInChI=1S/C12H16BrNO2S/c1-8(10-4-5-11(13)17-10)12(15)14-9-3-2-6-16-7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyMAGWOWVRUYPEHO-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide (CID 71994844) is 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide is CC(C(=O)NC1CCCOC1)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide?
The InChIKey is MAGWOWVRUYPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-8(10-4-5-11(13)17-10)12(15)14-9-3-2-6-16-7-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide?
2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide has a molecular weight of 318.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(oxan-3-yl)propanamide is sourced from PubChem (CID 71994844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).