2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H20N2O7S — CID 17310285

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O7S/c22-19(12-26-15-3-6-17-18(11-15)28-13-27-17)20-14-1-4-16(5-2-14)29(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22)
InChIKeyRRAAYUXPELLMKP-UHFFFAOYSA-N
MW420.44 g/mol
LogP1.45
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 17310285) has the molecular formula C19H20N2O7S and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID17310285
Molecular FormulaC19H20N2O7S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H20N2O7S/c22-19(12-26-15-3-6-17-18(11-15)28-13-27-17)20-14-1-4-16(5-2-14)29(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22)
InChIKeyRRAAYUXPELLMKP-UHFFFAOYSA-N
XLogP1.45
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 1248006
2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 5169577
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 16530744
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1251736
2-(1,3-benzodioxol-5-yloxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 5195219
N-(4-methyl-3-sulfamoylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30835139
N-(3-chloro-4-methoxyphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27017330
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23855200
N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 29181189
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 17310285) is 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is RRAAYUXPELLMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7S/c22-19(12-26-15-3-6-17-18(11-15)28-13-27-17)20-14-1-4-16(5-2-14)29(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10,12-13H2,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 420.44 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 17310285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).