N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C20H22N2O7S — CID 1217021

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O7S/c1-26-17-4-2-14(12-19(17)30(24,25)22-6-8-27-9-7-22)20(23)21-15-3-5-16-18(13-15)29-11-10-28-16/h2-5,12-13H,6-11H2,1H3,(H,21,23)
InChIKeyUFWHPOARBPBVET-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.74
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1217021) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1217021
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O7S/c1-26-17-4-2-14(12-19(17)30(24,25)22-6-8-27-9-7-22)20(23)21-15-3-5-16-18(13-15)29-11-10-28-16/h2-5,12-13H,6-11H2,1H3,(H,21,23)
InChIKeyUFWHPOARBPBVET-UHFFFAOYSA-N
XLogP1.74
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262699
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxybenzamide
CID 786352
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 4522036
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 4835037
[2-(3,4-Dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4853782
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4854007
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-N,2-dimethylbenzamide
CID 6458112
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2596476
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4149969
N-(7-Oxo-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-g]quinolin-8-ylmethyl)-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 646239
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 646482

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 1217021) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UFWHPOARBPBVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-26-17-4-2-14(12-19(17)30(24,25)22-6-8-27-9-7-22)20(23)21-15-3-5-16-18(13-15)29-11-10-28-16/h2-5,12-13H,6-11H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 434.47 g/mol, XLogP of 1.74, 5 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)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).