3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide

C24H24N2O5S — CID 133165204

IUPAC3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-16-8-9-19(14-21(16)26-32(28,29)20-6-4-3-5-7-20)24(27)25-17(2)18-10-11-22-23(15-18)31-13-12-30-22/h3-11,14-15,17,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyYOHBQGHYVMCFBJ-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.06
Rot. Bonds6

About 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide

3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide (PubChem CID 133165204) has the molecular formula C24H24N2O5S and a molecular weight of 452.53 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
PubChem CID133165204
Molecular FormulaC24H24N2O5S
Molecular Weight452.53 g/mol
Exact Mass452.14
IUPAC Name3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C24H24N2O5S/c1-16-8-9-19(14-21(16)26-32(28,29)20-6-4-3-5-7-20)24(27)25-17(2)18-10-11-22-23(15-18)31-13-12-30-22/h3-11,14-15,17,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyYOHBQGHYVMCFBJ-UHFFFAOYSA-N
XLogP4.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide with MolForge

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Related Compounds

4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978
3-(benzenesulfonamido)-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 99955648
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 43907189
3-(benzenesulfonamido)-4-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217988
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133165202
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylbenzoic acid
CID 4849086
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-9-oxofluorene-2-carboxamide
CID 16613066
4-(benzenesulfonamido)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbenzamide
CID 133188885
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55483987
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 92547331

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide (CID 133165204) is 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide?
The InChIKey is YOHBQGHYVMCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5S/c1-16-8-9-19(14-21(16)26-32(28,29)20-6-4-3-5-7-20)24(27)25-17(2)18-10-11-22-23(15-18)31-13-12-30-22/h3-11,14-15,17,26H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide?
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide has a molecular weight of 452.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 133165204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).