N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide

C22H21N3O6S — CID 5308819

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-18-7-5-17(6-8-18)25(32(27,28)19-3-2-10-23-14-19)15-22(26)24-16-4-9-20-21(13-16)31-12-11-30-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,26)
InChIKeyPNRKQEYIURVBOI-UHFFFAOYSA-N
MW455.49 g/mol
LogP2.70
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide (PubChem CID 5308819) has the molecular formula C22H21N3O6S and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
PubChem CID5308819
Molecular FormulaC22H21N3O6S
Molecular Weight455.49 g/mol
Exact Mass455.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C22H21N3O6S/c1-29-18-7-5-17(6-8-18)25(32(27,28)19-3-2-10-23-14-19)15-22(26)24-16-4-9-20-21(13-16)31-12-11-30-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,26)
InChIKeyPNRKQEYIURVBOI-UHFFFAOYSA-N
XLogP2.70
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylthio)acetamide
CID 2824712
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-3-ylmethyl)acetamide
CID 989151
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(pyridin-4-ylmethyl)acetamide
CID 1306472
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-pyridin-3-ylacetamide
CID 1085660
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide
CID 1281364
N~2~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-(methylsulfonyl)-N~1~-(2-pyridinylmethyl)glycinamide
CID 2194631
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-pyridin-3-ylacetamide
CID 2968767
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl-(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 2998453
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639
N-(3,4-diethoxyphenyl)-2-[[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-methylamino]acetamide
CID 4836019

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide (CID 5308819) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide?
The InChIKey is PNRKQEYIURVBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6S/c1-29-18-7-5-17(6-8-18)25(32(27,28)19-3-2-10-23-14-19)15-22(26)24-16-4-9-20-21(13-16)31-12-11-30-20/h2-10,13-14H,11-12,15H2,1H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide has a molecular weight of 455.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide is sourced from PubChem (CID 5308819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).