2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

C19H15N3O2S — CID 2413297

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C19H15N3O2S/c23-16(20-19-22-21-18(25-19)12-5-6-12)9-13-10-24-15-8-7-11-3-1-2-4-14(11)17(13)15/h1-4,7-8,10,12H,5-6,9H2,(H,20,22,23)
InChIKeyMYXMVJKYDMDMRX-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.50
Rot. Bonds4

About 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2413297) has the molecular formula C19H15N3O2S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2413297
Molecular FormulaC19H15N3O2S
Molecular Weight349.41 g/mol
Exact Mass349.09
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1
InChIInChI=1S/C19H15N3O2S/c23-16(20-19-22-21-18(25-19)12-5-6-12)9-13-10-24-15-8-7-11-3-1-2-4-14(11)17(13)15/h1-4,7-8,10,12H,5-6,9H2,(H,20,22,23)
InChIKeyMYXMVJKYDMDMRX-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2413297) is 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is MYXMVJKYDMDMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-16(20-19-22-21-18(25-19)12-5-6-12)9-13-10-24-15-8-7-11-3-1-2-4-14(11)17(13)15/h1-4,7-8,10,12H,5-6,9H2,(H,20,22,23).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 349.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2413297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).