2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide

C9H13NO2S — CID 18779056

IUPAC2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide
SMILESCc1ccc(CCOCC(N)=O)s1
InChIInChI=1S/C9H13NO2S/c1-7-2-3-8(13-7)4-5-12-6-9(10)11/h2-3H,4-6H2,1H3,(H2,10,11)
InChIKeyBNJXUOPGHBTVQD-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide

2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide (PubChem CID 18779056) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide
PubChem CID18779056
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide
SMILESCc1ccc(CCOCC(N)=O)s1
InChIInChI=1S/C9H13NO2S/c1-7-2-3-8(13-7)4-5-12-6-9(10)11/h2-3H,4-6H2,1H3,(H2,10,11)
InChIKeyBNJXUOPGHBTVQD-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
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-[2-(5-methylthiophen-2-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide (CID 18779056) is 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide is Cc1ccc(CCOCC(N)=O)s1.
What is the InChIKey of 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide?
The InChIKey is BNJXUOPGHBTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7-2-3-8(13-7)4-5-12-6-9(10)11/h2-3H,4-6H2,1H3,(H2,10,11).
What are the key properties of 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide?
2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide has a molecular weight of 199.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylthiophen-2-yl)ethoxy]acetamide is sourced from PubChem (CID 18779056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).