2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide

C15H22N2O5S — CID 18165466

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(N)=O)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O5S/c1-11(2)5-6-17(10-15(16)18)23(19,20)12-3-4-13-14(9-12)22-8-7-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,18)
InChIKeySKRWVJALVLLRTL-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.98
Rot. Bonds7

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide (PubChem CID 18165466) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
PubChem CID18165466
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(N)=O)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H22N2O5S/c1-11(2)5-6-17(10-15(16)18)23(19,20)12-3-4-13-14(9-12)22-8-7-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,18)
InChIKeySKRWVJALVLLRTL-UHFFFAOYSA-N
XLogP0.98
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
2-[4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)anilino]acetamide
CID 19260248
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 19260282
N-(2-aminoethyl)-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 28707999
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetic acid
CID 2893755
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
ethyl 4-[(2-amino-2-oxoethyl)-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzoate
CID 19260249
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 80672872
N-(3-amino-4-phenylbutyl)-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71146138
N-(5-cyano-2,2-dimethylpentyl)-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 59093387

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide (CID 18165466) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide is CC(C)CCN(CC(N)=O)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide?
The InChIKey is SKRWVJALVLLRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(2)5-6-17(10-15(16)18)23(19,20)12-3-4-13-14(9-12)22-8-7-21-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,16,18).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 18165466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).