N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide

C14H15NO2S — CID 7697711

IUPACN-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccsc1
InChIInChI=1S/C14H15NO2S/c1-17-13-5-3-2-4-12(13)9-15-14(16)8-11-6-7-18-10-11/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyQASJGNZTYWLXJD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.62
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 7697711) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
PubChem CID7697711
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide
SMILESCOc1ccccc1CNC(=O)Cc1ccsc1
InChIInChI=1S/C14H15NO2S/c1-17-13-5-3-2-4-12(13)9-15-14(16)8-11-6-7-18-10-11/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyQASJGNZTYWLXJD-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide (CID 7697711) is N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide is COc1ccccc1CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is QASJGNZTYWLXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-13-5-3-2-4-12(13)9-15-14(16)8-11-6-7-18-10-11/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide?
N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 7697711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).