2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide

C20H26N2O3S — CID 29431037

IUPAC2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-5-21-19(23)14-22(13-18-9-7-6-8-10-18)26(24,25)20-16(3)11-15(2)12-17(20)4/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyFSBNTJDFKDXDLL-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.94
Rot. Bonds7

About 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide (PubChem CID 29431037) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
PubChem CID29431037
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C20H26N2O3S/c1-5-21-19(23)14-22(13-18-9-7-6-8-10-18)26(24,25)20-16(3)11-15(2)12-17(20)4/h6-12H,5,13-14H2,1-4H3,(H,21,23)
InChIKeyFSBNTJDFKDXDLL-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 126067641
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874562
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 126063500
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 100795291
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
N-methyl-2-[2-phenylethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 989293
N-(3-methylbutyl)-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371796
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27036482

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide?
The IUPAC name of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide (CID 29431037) is 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide?
The canonical SMILES for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide is CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide?
The InChIKey is FSBNTJDFKDXDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-5-21-19(23)14-22(13-18-9-7-6-8-10-18)26(24,25)20-16(3)11-15(2)12-17(20)4/h6-12H,5,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide?
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide has a molecular weight of 374.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-ethylacetamide is sourced from PubChem (CID 29431037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).