N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H20N2O6S — CID 2898863

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C19H20N2O6S/c22-19(18-13-26-16-3-1-2-4-17(16)27-18)20-14-5-7-15(8-6-14)28(23,24)21-9-11-25-12-10-21/h1-8,18H,9-13H2,(H,20,22)
InChIKeyXRRIZWYWKCNNHC-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.49
Rot. Bonds4

About N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2898863) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2898863
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1COc2ccccc2O1
InChIInChI=1S/C19H20N2O6S/c22-19(18-13-26-16-3-1-2-4-17(16)27-18)20-14-5-7-15(8-6-14)28(23,24)21-9-11-25-12-10-21/h1-8,18H,9-13H2,(H,20,22)
InChIKeyXRRIZWYWKCNNHC-UHFFFAOYSA-N
XLogP1.49
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3282755
N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 3875813
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
2-(4-tert-Butylsulfamoyl-phenoxy)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 646484
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
N-[4-(morpholin-4-ylsulfonyl)phenyl]-4-phenoxybutanamide
CID 650732
2-Phenoxy-N-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-butyramide
CID 651178
2-phenoxy-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 1010634
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 1013010
2-(2-methoxyphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide
CID 1013015

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2898863) is N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1COc2ccccc2O1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is XRRIZWYWKCNNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c22-19(18-13-26-16-3-1-2-4-17(16)27-18)20-14-5-7-15(8-6-14)28(23,24)21-9-11-25-12-10-21/h1-8,18H,9-13H2,(H,20,22).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).