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

C25H26N2O5S — CID 133165110

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-8-11-20(12-9-17)33(29,30)27(3)22-7-5-4-6-21(22)25(28)26-18(2)19-10-13-23-24(16-19)32-15-14-31-23/h4-13,16,18H,14-15H2,1-3H3,(H,26,28)
InChIKeyIAMXHHJDHBZJGM-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.08
Rot. Bonds6

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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 133165110) 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-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID133165110
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C25H26N2O5S/c1-17-8-11-20(12-9-17)33(29,30)27(3)22-7-5-4-6-21(22)25(28)26-18(2)19-10-13-23-24(16-19)32-15-14-31-23/h4-13,16,18H,14-15H2,1-3H3,(H,26,28)
InChIKeyIAMXHHJDHBZJGM-UHFFFAOYSA-N
XLogP4.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 133165202
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 24605167
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 125063236
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 133164984
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
CID 71894359
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(methanesulfonamido)-2-methylbenzamide
CID 133165200
2-[benzenesulfonyl(methyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92673178
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 125064530

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 133165110) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC(C)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is IAMXHHJDHBZJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-17-8-11-20(12-9-17)33(29,30)27(3)22-7-5-4-6-21(22)25(28)26-18(2)19-10-13-23-24(16-19)32-15-14-31-23/h4-13,16,18H,14-15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 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-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 133165110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).