N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide

C18H20N2O5S — CID 3151136

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-13(20(26(2,22)23)15-6-4-3-5-7-15)18(21)19-14-8-9-16-17(12-14)25-11-10-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,19,21)
InChIKeyAGXMWDYVYGYOCB-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.25
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide (PubChem CID 3151136) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide
PubChem CID3151136
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H20N2O5S/c1-13(20(26(2,22)23)15-6-4-3-5-7-15)18(21)19-14-8-9-16-17(12-14)25-11-10-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,19,21)
InChIKeyAGXMWDYVYGYOCB-UHFFFAOYSA-N
XLogP2.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide (CID 3151136) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1ccc2c(c1)OCCO2)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is AGXMWDYVYGYOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-13(20(26(2,22)23)15-6-4-3-5-7-15)18(21)19-14-8-9-16-17(12-14)25-11-10-24-16/h3-9,12-13H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 376.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 3151136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).