2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide

C20H22N2O4S — CID 2606825

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(14-27-17-5-6-18-19(13-17)26-12-11-25-18)21-15-1-3-16(4-2-15)22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyRPZQGYOYJFSREY-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.03
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2606825) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2606825
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O4S/c23-20(14-27-17-5-6-18-19(13-17)26-12-11-25-18)21-15-1-3-16(4-2-15)22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23)
InChIKeyRPZQGYOYJFSREY-UHFFFAOYSA-N
XLogP3.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 2606825) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RPZQGYOYJFSREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c23-20(14-27-17-5-6-18-19(13-17)26-12-11-25-18)21-15-1-3-16(4-2-15)22-7-9-24-10-8-22/h1-6,13H,7-12,14H2,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2606825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).