2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

C15H15NO4S — CID 2997787

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1
InChIInChI=1S/C15H15NO4S/c17-15(16-9-11-2-1-5-18-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8H,6-7,9-10H2,(H,16,17)
InChIKeyZOKHYMSVDISHRH-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.46
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 2997787) has the molecular formula C15H15NO4S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID2997787
Molecular FormulaC15H15NO4S
Molecular Weight305.35 g/mol
Exact Mass305.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1
InChIInChI=1S/C15H15NO4S/c17-15(16-9-11-2-1-5-18-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8H,6-7,9-10H2,(H,16,17)
InChIKeyZOKHYMSVDISHRH-UHFFFAOYSA-N
XLogP2.46
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 2997787) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZOKHYMSVDISHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c17-15(16-9-11-2-1-5-18-11)10-21-12-3-4-13-14(8-12)20-7-6-19-13/h1-5,8H,6-7,9-10H2,(H,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 305.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).