2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

C23H20N2O7S — CID 2200860

IUPAC2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H20N2O7S/c26-23(24-16-6-8-20-21(12-16)32-15-31-20)14-25(33(27,28)18-4-2-1-3-5-18)17-7-9-19-22(13-17)30-11-10-29-19/h1-9,12-13H,10-11,14-15H2,(H,24,26)
InChIKeyBVDQPFRWWMDOAS-UHFFFAOYSA-N
MW468.49 g/mol
LogP3.02
Rot. Bonds6

About 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 2200860) has the molecular formula C23H20N2O7S and a molecular weight of 468.49 g/mol. Its IUPAC name is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID2200860
Molecular FormulaC23H20N2O7S
Molecular Weight468.49 g/mol
Exact Mass468.10
IUPAC Name2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H20N2O7S/c26-23(24-16-6-8-20-21(12-16)32-15-31-20)14-25(33(27,28)18-4-2-1-3-5-18)17-7-9-19-22(13-17)30-11-10-29-19/h1-9,12-13H,10-11,14-15H2,(H,24,26)
InChIKeyBVDQPFRWWMDOAS-UHFFFAOYSA-N
XLogP3.02
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(azepan-1-ylsulfonyl)anilino]-N-(3,4-diethoxyphenyl)acetamide
CID 4784017
2-(3,4-dimethoxyanilino)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 5078319
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide
CID 1264006
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484
1-(4-acetamidophenyl)sulfonyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide
CID 3164173
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
CID 736378
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
CID 3239422
N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-[(methylsulfonyl)phenylamino]propanami de
CID 3151136
N-Benzo[1,3]dioxol-5-yl-2-(methanesulfonyl-phenyl-amino)-acetamide
CID 645332
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-2-(toluene-4-sulfonylamino)-acetamide
CID 645581
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
CID 649505

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 2200860) is 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is BVDQPFRWWMDOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S/c26-23(24-16-6-8-20-21(12-16)32-15-31-20)14-25(33(27,28)18-4-2-1-3-5-18)17-7-9-19-22(13-17)30-11-10-29-19/h1-9,12-13H,10-11,14-15H2,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 468.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 2200860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).