4-ethoxy-N-(thiophen-2-ylmethyl)benzamide

C14H15NO2S — CID 897479

IUPAC4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyVCHZAXAWEQHJFR-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.08
Rot. Bonds5

About 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide

4-ethoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 897479) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID897479
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name4-ethoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyVCHZAXAWEQHJFR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide (CID 897479) is 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide is CCOc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VCHZAXAWEQHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-2-17-12-7-5-11(6-8-12)14(16)15-10-13-4-3-9-18-13/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide?
4-ethoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 261.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 897479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).