2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide

C17H20N2O3S — CID 2252415

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-2-18-17(20)14-19(13-15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20)
InChIKeyVYGXGDJJDIBRJI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.01
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide

2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide (PubChem CID 2252415) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide
PubChem CID2252415
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-2-18-17(20)14-19(13-15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20)
InChIKeyVYGXGDJJDIBRJI-UHFFFAOYSA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-phenyl-N-(4-sulfamoylbenzyl)acetamide
CID 4119643
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N,N'-Dibenzyloxamide
CID 219253
N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171281
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
N~1~-butyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2236744
{(2-{Carboxymethyl-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-acetic acid
CID 11061197
2-[2-cyanoethyl(2-phenylethyl)amino]-N-(cyanomethyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 156009494

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide (CID 2252415) is 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide is CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide?
The InChIKey is VYGXGDJJDIBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-18-17(20)14-19(13-15-9-5-3-6-10-15)23(21,22)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,20).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide?
2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide has a molecular weight of 332.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-ethylacetamide is sourced from PubChem (CID 2252415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).