2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C15H22N2O3S — CID 78767125

IUPAC2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-5-17(11-13(2)3)15(18)12-16(4)21(19,20)14-9-7-6-8-10-14/h6-10H,2,5,11-12H2,1,3-4H3
InChIKeyOCJCSIGATAHCAG-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.73
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 78767125) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID78767125
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-5-17(11-13(2)3)15(18)12-16(4)21(19,20)14-9-7-6-8-10-14/h6-10H,2,5,11-12H2,1,3-4H3
InChIKeyOCJCSIGATAHCAG-UHFFFAOYSA-N
XLogP1.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]acetic acid
CID 119192737
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
3-[[2-[benzenesulfonyl(methyl)amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190065
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
2-[benzenesulfonyl(benzyl)amino]-N,N-diethylacetamide
CID 4780411
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 78793216
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
N,N-dibenzyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 27001178
2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
N-(2,6-difluorophenyl)-2-[ethyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 38369270

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 78767125) is 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is OCJCSIGATAHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-17(11-13(2)3)15(18)12-16(4)21(19,20)14-9-7-6-8-10-14/h6-10H,2,5,11-12H2,1,3-4H3.
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 78767125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).