2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

C25H26N2O6S — CID 26549468

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N2O6S/c1-17-7-9-22(31-2)18(15-17)11-12-26-25(28)20-5-3-4-6-21(20)27-34(29,30)19-8-10-23-24(16-19)33-14-13-32-23/h3-10,15-16,27H,11-14H2,1-2H3,(H,26,28)
InChIKeyWYAWUNLARDSFJD-UHFFFAOYSA-N
MW482.56 g/mol
LogP3.55
Rot. Bonds8

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 26549468) has the molecular formula C25H26N2O6S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID26549468
Molecular FormulaC25H26N2O6S
Molecular Weight482.56 g/mol
Exact Mass482.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H26N2O6S/c1-17-7-9-22(31-2)18(15-17)11-12-26-25(28)20-5-3-4-6-21(20)27-34(29,30)19-8-10-23-24(16-19)33-14-13-32-23/h3-10,15-16,27H,11-14H2,1-2H3,(H,26,28)
InChIKeyWYAWUNLARDSFJD-UHFFFAOYSA-N
XLogP3.55
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide with MolForge

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Related Compounds

N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55396039
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxybenzamide
CID 110787875
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 6492763
[2-oxo-2-(pentylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 34320492
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 110699586
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
(3-methoxyphenyl)methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 35516996

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 26549468) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is WYAWUNLARDSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6S/c1-17-7-9-22(31-2)18(15-17)11-12-26-25(28)20-5-3-4-6-21(20)27-34(29,30)19-8-10-23-24(16-19)33-14-13-32-23/h3-10,15-16,27H,11-14H2,1-2H3,(H,26,28).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide has a molecular weight of 482.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26549468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).