2-(benzylsulfonylamino)-N,N-diethylacetamide

C13H20N2O3S — CID 47098437

IUPAC2-(benzylsulfonylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-15(4-2)13(16)10-14-19(17,18)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZQIJRVZMCFMGQK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.97
Rot. Bonds7

About 2-(benzylsulfonylamino)-N,N-diethylacetamide

2-(benzylsulfonylamino)-N,N-diethylacetamide (PubChem CID 47098437) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-N,N-diethylacetamide
PubChem CID47098437
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(benzylsulfonylamino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-3-15(4-2)13(16)10-14-19(17,18)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3
InChIKeyZQIJRVZMCFMGQK-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methylsulfonylamino]-N,N-diethylacetamide
CID 22301493
N-benzyl-2-(dimethylsulfamoylamino)-N-ethylacetamide
CID 47389495
2-(benzylamino)-N,N-diethylacetamide
CID 10857021
N-benzyl-2-(ethylsulfonylamino)-N-(furan-2-ylmethyl)acetamide
CID 71846274
2-(benzylsulfonylamino)ethanethioamide
CID 61127504
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-[(3-chlorophenyl)methylsulfonylamino]-N-methylacetamide
CID 22300743
2-(benzylsulfonylamino)-N-(2-phenylethyl)acetamide
CID 39192170
2-[(benzylsulfonylamino)-methylamino]acetic acid
CID 53397572
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)-N,N-diethylacetamide?
The IUPAC name of 2-(benzylsulfonylamino)-N,N-diethylacetamide (CID 47098437) is 2-(benzylsulfonylamino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(benzylsulfonylamino)-N,N-diethylacetamide?
The canonical SMILES for 2-(benzylsulfonylamino)-N,N-diethylacetamide is CCN(CC)C(=O)CNS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-(benzylsulfonylamino)-N,N-diethylacetamide?
The InChIKey is ZQIJRVZMCFMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-15(4-2)13(16)10-14-19(17,18)11-12-8-6-5-7-9-12/h5-9,14H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(benzylsulfonylamino)-N,N-diethylacetamide?
2-(benzylsulfonylamino)-N,N-diethylacetamide has a molecular weight of 284.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-N,N-diethylacetamide is sourced from PubChem (CID 47098437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).