2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H15N3O3S — CID 2365088

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3S/c21-16(10-24-17-19-12-3-1-2-4-13(12)20-17)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyJKBYSPZCJCSSQW-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.06
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 2365088) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID2365088
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O3S/c21-16(10-24-17-19-12-3-1-2-4-13(12)20-17)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20)
InChIKeyJKBYSPZCJCSSQW-UHFFFAOYSA-N
XLogP3.06
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 2365088) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is JKBYSPZCJCSSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-16(10-24-17-19-12-3-1-2-4-13(12)20-17)18-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9H,7-8,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 341.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 2365088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).