N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

C15H17NO2S — CID 6465287

IUPACN-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(C(C)NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H17NO2S/c1-11(12-5-3-6-13(9-12)18-2)16-15(17)10-14-7-4-8-19-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyBWOCXLAXFBKTPK-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.18
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide

N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 6465287) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID6465287
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(C(C)NC(=O)Cc2cccs2)c1
InChIInChI=1S/C15H17NO2S/c1-11(12-5-3-6-13(9-12)18-2)16-15(17)10-14-7-4-8-19-14/h3-9,11H,10H2,1-2H3,(H,16,17)
InChIKeyBWOCXLAXFBKTPK-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 6465287) is N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is COc1cccc(C(C)NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is BWOCXLAXFBKTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(12-5-3-6-13(9-12)18-2)16-15(17)10-14-7-4-8-19-14/h3-9,11H,10H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 275.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 6465287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).