2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide

C18H18N2O6S — CID 19260248

IUPAC2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide
SMILESCC(=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O6S/c1-12(21)13-2-4-14(5-3-13)20(11-18(19)22)27(23,24)15-6-7-16-17(10-15)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H2,19,22)
InChIKeyXOEPSGIMNIFFSB-UHFFFAOYSA-N
MW390.42 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide

2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide (PubChem CID 19260248) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide.

Molecular Properties

Compound Name2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide
PubChem CID19260248
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide
SMILESCC(=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C18H18N2O6S/c1-12(21)13-2-4-14(5-3-13)20(11-18(19)22)27(23,24)15-6-7-16-17(10-15)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H2,19,22)
InChIKeyXOEPSGIMNIFFSB-UHFFFAOYSA-N
XLogP1.34
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-amino-2-oxoethyl)-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate
CID 19260249
ethyl 4-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 19260279
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
CID 18165466
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 98093193
N-benzyl-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-methylanilino]-N-methylacetamide
CID 4787146
N-[(2S)-butan-2-yl]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]acetamide
CID 40645630
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1006651
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methylphenyl)acetamide
CID 1075546
N-(4-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260329
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 100504093

Frequently Asked Questions

What is the IUPAC name of 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide?
The IUPAC name of 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide (CID 19260248) is 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide.
What is the SMILES notation for 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide?
The canonical SMILES for 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide is CC(=O)c1ccc(N(CC(N)=O)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide?
The InChIKey is XOEPSGIMNIFFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-12(21)13-2-4-14(5-3-13)20(11-18(19)22)27(23,24)15-6-7-16-17(10-15)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H2,19,22).
What are the key properties of 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide?
2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide has a molecular weight of 390.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide is sourced from PubChem (CID 19260248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).