N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide

C17H15F2NO4S — CID 2606691

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO4S/c18-17(19)24-12-3-1-11(2-4-12)20-16(21)10-25-13-5-6-14-15(9-13)23-8-7-22-14/h1-6,9,17H,7-8,10H2,(H,20,21)
InChIKeyMLNDSTYTZJRUAP-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.79
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (PubChem CID 2606691) has the molecular formula C17H15F2NO4S and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
PubChem CID2606691
Molecular FormulaC17H15F2NO4S
Molecular Weight367.37 g/mol
Exact Mass367.07
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide
SMILESO=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2NO4S/c18-17(19)24-12-3-1-11(2-4-12)20-16(21)10-25-13-5-6-14-15(9-13)23-8-7-22-14/h1-6,9,17H,7-8,10H2,(H,20,21)
InChIKeyMLNDSTYTZJRUAP-UHFFFAOYSA-N
XLogP3.79
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide (CID 2606691) is N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
The InChIKey is MLNDSTYTZJRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4S/c18-17(19)24-12-3-1-11(2-4-12)20-16(21)10-25-13-5-6-14-15(9-13)23-8-7-22-14/h1-6,9,17H,7-8,10H2,(H,20,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide is sourced from PubChem (CID 2606691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).