N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide

C15H22N2O5S — CID 113052606

IUPACN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C15H22N2O5S/c1-11(2)9-17(12(3)18)7-6-16-23(19,20)13-4-5-14-15(8-13)22-10-21-14/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyYGZVJFRJDOJFFU-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide

N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide (PubChem CID 113052606) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
PubChem CID113052606
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)CC(C)C
InChIInChI=1S/C15H22N2O5S/c1-11(2)9-17(12(3)18)7-6-16-23(19,20)13-4-5-14-15(8-13)22-10-21-14/h4-5,8,11,16H,6-7,9-10H2,1-3H3
InChIKeyYGZVJFRJDOJFFU-UHFFFAOYSA-N
XLogP1.20
TPSA84.94 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-propylacetamide
CID 113051933
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053833
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 113053957
N-(2-propan-2-yloxyethyl)-1,3-benzodioxole-5-sulfonamide
CID 110602847
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110359364
N-(3-bromobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113271819
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide;hydrochloride
CID 90485725
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
2-(1,3-benzodioxol-5-ylsulfonylamino)acetate
CID 7744996
N-(4-hydroxypentyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 107271149
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056884
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 112991498

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide (CID 113052606) is N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc2c(c1)OCO2)CC(C)C.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide?
The InChIKey is YGZVJFRJDOJFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(2)9-17(12(3)18)7-6-16-23(19,20)13-4-5-14-15(8-13)22-10-21-14/h4-5,8,11,16H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide?
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 113052606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).