N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

C15H22N2O5S — CID 113153343

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-11(2)6-7-17(23(3,19)20)9-15(18)16-12-4-5-13-14(8-12)22-10-21-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyQATKMNGSJCWUFN-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.66
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153343) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153343
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C15H22N2O5S/c1-11(2)6-7-17(23(3,19)20)9-15(18)16-12-4-5-13-14(8-12)22-10-21-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyQATKMNGSJCWUFN-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
N-(1,3-benzodioxol-5-yl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151548
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62015602
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113151399
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771763
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1148607
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 2355278

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153343) is N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CC(C)CCN(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is QATKMNGSJCWUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-11(2)6-7-17(23(3,19)20)9-15(18)16-12-4-5-13-14(8-12)22-10-21-13/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 342.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).