2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide

C19H15NO2S — CID 2117229

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1cccs1
InChIInChI=1S/C19H15NO2S/c21-18(20-11-15-5-3-9-23-15)10-14-12-22-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-9,12H,10-11H2,(H,20,21)
InChIKeyLMEDZAPJEULJCK-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.51
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2117229) has the molecular formula C19H15NO2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2117229
Molecular FormulaC19H15NO2S
Molecular Weight321.40 g/mol
Exact Mass321.08
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCc1cccs1
InChIInChI=1S/C19H15NO2S/c21-18(20-11-15-5-3-9-23-15)10-14-12-22-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-9,12H,10-11H2,(H,20,21)
InChIKeyLMEDZAPJEULJCK-UHFFFAOYSA-N
XLogP4.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-naphtho[2,1-b]furan-1-ylacetamide
CID 1243323
2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2469541
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 16012828
N-(3-methoxypropyl)-2-naphtho[2,1-b]furanylacetamide
CID 1983387
N-ethyl-2-{[(5-ethyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012928
N-butyl-2-naphtho[2,1-b]furan-1-ylacetamide
CID 1811779
2-[[2-(6-Methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 2125709
2-(6-methyl-1-benzofuran-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675116
2-benzo[e][1]benzofuran-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268741
N-[(4-methoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 16010416
N-(4-methoxybenzyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 16012821
N-methyl-2-{[(5-methyl-1-benzofuran-3-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16012864

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide (CID 2117229) is 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCc1cccs1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LMEDZAPJEULJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S/c21-18(20-11-15-5-3-9-23-15)10-14-12-22-17-8-7-13-4-1-2-6-16(13)19(14)17/h1-9,12H,10-11H2,(H,20,21).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2117229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).