N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C24H24N2O5S — CID 26899144

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H24N2O5S/c1-26(17-18-5-3-2-4-6-18)32(28,29)21-10-8-20(9-11-21)25-24(27)16-19-7-12-22-23(15-19)31-14-13-30-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)
InChIKeyWGLPRWQXEVQPEH-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 26899144) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID26899144
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C24H24N2O5S/c1-26(17-18-5-3-2-4-6-18)32(28,29)21-10-8-20(9-11-21)25-24(27)16-19-7-12-22-23(15-19)31-14-13-30-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,27)
InChIKeyWGLPRWQXEVQPEH-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 27711716
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917
3-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]propanamide
CID 17310164
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26583009
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 171668777
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 110674563
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(5-tert-butyl-1-benzofuran-3-yl)acetamide
CID 18861301

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 26899144) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is WGLPRWQXEVQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-26(17-18-5-3-2-4-6-18)32(28,29)21-10-8-20(9-11-21)25-24(27)16-19-7-12-22-23(15-19)31-14-13-30-22/h2-12,15H,13-14,16-17H2,1H3,(H,25,27).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 452.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 26899144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).