N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide

C13H21N3O3S — CID 47389495

IUPACN-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-14-20(18,19)15(2)3/h5-9,14H,4,10-11H2,1-3H3
InChIKeyYCXYFSRGNBOEKK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.43
Rot. Bonds7

About N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide

N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide (PubChem CID 47389495) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide
PubChem CID47389495
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-14-20(18,19)15(2)3/h5-9,14H,4,10-11H2,1-3H3
InChIKeyYCXYFSRGNBOEKK-UHFFFAOYSA-N
XLogP0.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
2-(benzylsulfonylamino)-N,N-diethylacetamide
CID 47098437
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112992893
N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide (CID 47389495) is N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)N(C)C.
What is the InChIKey of N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide?
The InChIKey is YCXYFSRGNBOEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16(11-12-8-6-5-7-9-12)13(17)10-14-20(18,19)15(2)3/h5-9,14H,4,10-11H2,1-3H3.
What are the key properties of N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide?
N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide is sourced from PubChem (CID 47389495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).