2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide

C12H18BrNO2S — CID 71995037

IUPAC2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide
SMILESCOCCCN(C)C(=O)C(C)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-9(10-5-6-11(13)17-10)12(15)14(2)7-4-8-16-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHHQZRRXPPUIERK-UHFFFAOYSA-N
MW320.25 g/mol
LogP3.11
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide

2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide (PubChem CID 71995037) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide
PubChem CID71995037
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide
SMILESCOCCCN(C)C(=O)C(C)c1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-9(10-5-6-11(13)17-10)12(15)14(2)7-4-8-16-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyHHQZRRXPPUIERK-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide (CID 71995037) is 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide is COCCCN(C)C(=O)C(C)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide?
The InChIKey is HHQZRRXPPUIERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-9(10-5-6-11(13)17-10)12(15)14(2)7-4-8-16-3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide?
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide has a molecular weight of 320.25 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)-N-methylpropanamide is sourced from PubChem (CID 71995037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).