N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

C18H19FN2O5S — CID 110426408

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19FN2O5S/c1-12(11-27(23,24)21-15-4-2-3-13(19)9-15)18(22)20-14-5-6-16-17(10-14)26-8-7-25-16/h2-6,9-10,12,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyACGYXHRUSDOCJY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.61
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (PubChem CID 110426408) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
PubChem CID110426408
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
SMILESCC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19FN2O5S/c1-12(11-27(23,24)21-15-4-2-3-13(19)9-15)18(22)20-14-5-6-16-17(10-14)26-8-7-25-16/h2-6,9-10,12,21H,7-8,11H2,1H3,(H,20,22)
InChIKeyACGYXHRUSDOCJY-UHFFFAOYSA-N
XLogP2.61
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110631787
3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 43024305
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylbutanamide
CID 43101935
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 82536030

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide (CID 110426408) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is CC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
The InChIKey is ACGYXHRUSDOCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-12(11-27(23,24)21-15-4-2-3-13(19)9-15)18(22)20-14-5-6-16-17(10-14)26-8-7-25-16/h2-6,9-10,12,21H,7-8,11H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide has a molecular weight of 394.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 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)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide is sourced from PubChem (CID 110426408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).