2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide

C19H24N2O3S — CID 4780411

IUPAC2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-20(4-2)19(22)16-21(15-17-11-7-5-8-12-17)25(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyYIBGYMAEPXDYNR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds8

About 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide

2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide (PubChem CID 4780411) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
PubChem CID4780411
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O3S/c1-3-20(4-2)19(22)16-21(15-17-11-7-5-8-12-17)25(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyYIBGYMAEPXDYNR-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(3-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 7917886
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N,N-diethylacetamide
CID 126091790
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
methyl 2-[benzyl-[4-(diethylcarbamoyl)phenyl]sulfonylamino]acetate
CID 47956024
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
3-[benzyl(methylsulfonyl)amino]-N,N-diethylpropanamide
CID 113138656
N,N-diethyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373099

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide (CID 4780411) is 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide?
The InChIKey is YIBGYMAEPXDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-20(4-2)19(22)16-21(15-17-11-7-5-8-12-17)25(23,24)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide?
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 4780411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).