N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide

C16H27NOS — CID 91693758

IUPACN-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
SMILESCCCCC(CC)CN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C16H27NOS/c1-4-7-9-14(5-2)13-17(6-3)16(18)12-15-10-8-11-19-15/h8,10-11,14H,4-7,9,12-13H2,1-3H3
InChIKeyPDTJZRQWZXGBOD-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.36
Rot. Bonds9

About N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide

N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide (PubChem CID 91693758) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
PubChem CID91693758
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide
SMILESCCCCC(CC)CN(CC)C(=O)Cc1cccs1
InChIInChI=1S/C16H27NOS/c1-4-7-9-14(5-2)13-17(6-3)16(18)12-15-10-8-11-19-15/h8,10-11,14H,4-7,9,12-13H2,1-3H3
InChIKeyPDTJZRQWZXGBOD-UHFFFAOYSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide (CID 91693758) is N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide is CCCCC(CC)CN(CC)C(=O)Cc1cccs1.
What is the InChIKey of N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide?
The InChIKey is PDTJZRQWZXGBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-7-9-14(5-2)13-17(6-3)16(18)12-15-10-8-11-19-15/h8,10-11,14H,4-7,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide?
N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide has a molecular weight of 281.46 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylhexyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91693758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).