2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide

C14H13NO4S — CID 2392825

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCc1cccs1
InChIInChI=1S/C14H13NO4S/c16-14(15-7-11-2-1-5-20-11)8-17-10-3-4-12-13(6-10)19-9-18-12/h1-6H,7-9H2,(H,15,16)
InChIKeyBRXTYDXJUPEYFC-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.17
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2392825) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2392825
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCc1cccs1
InChIInChI=1S/C14H13NO4S/c16-14(15-7-11-2-1-5-20-11)8-17-10-3-4-12-13(6-10)19-9-18-12/h1-6H,7-9H2,(H,15,16)
InChIKeyBRXTYDXJUPEYFC-UHFFFAOYSA-N
XLogP2.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide (CID 2392825) is 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc2c(c1)OCO2)NCc1cccs1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BRXTYDXJUPEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-14(15-7-11-2-1-5-20-11)8-17-10-3-4-12-13(6-10)19-9-18-12/h1-6H,7-9H2,(H,15,16).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 291.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2392825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).