N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C25H26N2O5S — CID 133165202

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc4c(c3)OCCO4)c2C)cc1
InChIInChI=1S/C25H26N2O5S/c1-16-7-10-20(11-8-16)33(29,30)27-22-6-4-5-21(17(22)2)25(28)26-18(3)19-9-12-23-24(15-19)32-14-13-31-23/h4-12,15,18,27H,13-14H2,1-3H3,(H,26,28)
InChIKeyZTOFDPXFCCENCH-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.37
Rot. Bonds6

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 133165202) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID133165202
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc4c(c3)OCCO4)c2C)cc1
InChIInChI=1S/C25H26N2O5S/c1-16-7-10-20(11-8-16)33(29,30)27-22-6-4-5-21(17(22)2)25(28)26-18(3)19-9-12-23-24(15-19)32-14-13-31-23/h4-12,15,18,27H,13-14H2,1-3H3,(H,26,28)
InChIKeyZTOFDPXFCCENCH-UHFFFAOYSA-N
XLogP4.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 133165200
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133165110
3-(benzenesulfonamido)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methylbenzamide
CID 133165204
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
4-(benzenesulfonamido)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 95282978
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methylsulfamoyl)benzamide
CID 51177532
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 133165214
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 18114856
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
3-(benzenesulfonamido)-N-[1-(4-ethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875867

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 133165202) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)c3ccc4c(c3)OCCO4)c2C)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZTOFDPXFCCENCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-16-7-10-20(11-8-16)33(29,30)27-22-6-4-5-21(17(22)2)25(28)26-18(3)19-9-12-23-24(15-19)32-14-13-31-23/h4-12,15,18,27H,13-14H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133165202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).