N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide

C13H15NO2S — CID 47007711

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)Cc2cccs2)o1
InChIInChI=1S/C13H15NO2S/c1-9-5-6-12(16-9)10(2)14-13(15)8-11-4-3-7-17-11/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKeyRYJFRUKBTHWPSG-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 47007711) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID47007711
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(C(C)NC(=O)Cc2cccs2)o1
InChIInChI=1S/C13H15NO2S/c1-9-5-6-12(16-9)10(2)14-13(15)8-11-4-3-7-17-11/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKeyRYJFRUKBTHWPSG-UHFFFAOYSA-N
XLogP3.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 94182945
N-[1-(2-methylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 47004762
N-(1-aminoethyl)-2-thiophen-2-ylacetamide
CID 173143442
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
2-(2-aminophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 61138769
N-[(2R)-1-hydroxypropan-2-yl]-2-thiophen-2-ylacetamide
CID 39086744
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
N-(1-chloropropan-2-yl)-2-thiophen-2-ylacetamide
CID 114299702
(2R)-N-ethyl-2-[(2-thiophen-2-ylacetyl)amino]propanamide
CID 8750175
2-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716446
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
CID 47450824
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-thiophen-2-ylacetamide
CID 61120272

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 47007711) is N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide is Cc1ccc(C(C)NC(=O)Cc2cccs2)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is RYJFRUKBTHWPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-9-5-6-12(16-9)10(2)14-13(15)8-11-4-3-7-17-11/h3-7,10H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 249.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47007711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).