N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide

C13H13NO2S — CID 649716

IUPACN-(3-methoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)14-13(15)9-12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZDEHGLDCSPBSES-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.94
Rot. Bonds4

About N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide

N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide (PubChem CID 649716) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-thiophen-2-ylacetamide
PubChem CID649716
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC NameN-(3-methoxyphenyl)-2-thiophen-2-ylacetamide
SMILESCOc1cccc(NC(=O)Cc2cccs2)c1
InChIInChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)14-13(15)9-12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15)
InChIKeyZDEHGLDCSPBSES-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide (CID 649716) is N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide is COc1cccc(NC(=O)Cc2cccs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide?
The InChIKey is ZDEHGLDCSPBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c1-16-11-5-2-4-10(8-11)14-13(15)9-12-6-3-7-17-12/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide?
N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide has a molecular weight of 247.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 649716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).