2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide

C18H22N2O3S — CID 3877866

IUPAC2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-20(24(22,23)16-11-6-5-7-12-16)13-17(21)19-18-14(2)9-8-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyGMTRGQGKVDYIOK-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.95
Rot. Bonds6

About 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide

2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 3877866) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID3877866
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-20(24(22,23)16-11-6-5-7-12-16)13-17(21)19-18-14(2)9-8-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyGMTRGQGKVDYIOK-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(ethyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 45372015
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
2-[benzenesulfonyl(ethyl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2228879
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[benzenesulfonyl(ethyl)amino]-N-(2-bromophenyl)acetamide
CID 45371859
2-[benzenesulfonyl(ethyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 2231731
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9113169
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 1095221
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(2,6-dimethylphenyl)acetamide
CID 51345251

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide (CID 3877866) is 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide is CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is GMTRGQGKVDYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-20(24(22,23)16-11-6-5-7-12-16)13-17(21)19-18-14(2)9-8-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide?
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 3877866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).