N-butyl-N-ethyl-2-thiophen-2-ylacetamide

C12H19NOS — CID 2166904

IUPACN-butyl-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-3-5-8-13(4-2)12(14)10-11-7-6-9-15-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyXQYHCOZWOUKJII-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.94
Rot. Bonds6

About N-butyl-N-ethyl-2-thiophen-2-ylacetamide

N-butyl-N-ethyl-2-thiophen-2-ylacetamide (PubChem CID 2166904) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-thiophen-2-ylacetamide
PubChem CID2166904
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-butyl-N-ethyl-2-thiophen-2-ylacetamide
SMILESCCCCN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C12H19NOS/c1-3-5-8-13(4-2)12(14)10-11-7-6-9-15-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyXQYHCOZWOUKJII-UHFFFAOYSA-N
XLogP2.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-butyl-N-ethyl-2-thiophen-2-ylacetamide (CID 2166904) is N-butyl-N-ethyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-butyl-N-ethyl-2-thiophen-2-ylacetamide is CCCCN(CC)C(=O)Cc1cccs1.
What is the InChIKey of N-butyl-N-ethyl-2-thiophen-2-ylacetamide?
The InChIKey is XQYHCOZWOUKJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-5-8-13(4-2)12(14)10-11-7-6-9-15-11/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-2-thiophen-2-ylacetamide?
N-butyl-N-ethyl-2-thiophen-2-ylacetamide has a molecular weight of 225.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2166904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).