N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

C16H26N2O3S — CID 113058917

IUPACN-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCc1cccc(CC)c1N(CCNS(=O)(=O)CC)C(C)=O
InChIInChI=1S/C16H26N2O3S/c1-5-14-9-8-10-15(6-2)16(14)18(13(4)19)12-11-17-22(20,21)7-3/h8-10,17H,5-7,11-12H2,1-4H3
InChIKeyFKRGLMXBWPJKGT-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.10
Rot. Bonds8

About N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide

N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 113058917) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID113058917
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCc1cccc(CC)c1N(CCNS(=O)(=O)CC)C(C)=O
InChIInChI=1S/C16H26N2O3S/c1-5-14-9-8-10-15(6-2)16(14)18(13(4)19)12-11-17-22(20,21)7-3/h8-10,17H,5-7,11-12H2,1-4H3
InChIKeyFKRGLMXBWPJKGT-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
N-(2,6-diethylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058928
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113058887
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-4-fluorobenzamide
CID 113058875
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113058905
N-(2,6-dimethylphenyl)-N-[2-(2-phenylethylsulfonylamino)ethyl]acetamide
CID 113058169
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063351
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[2-(N-acetyl-2-ethyl-6-methylanilino)ethyl]-4-methylbenzamide
CID 113058508

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 113058917) is N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCc1cccc(CC)c1N(CCNS(=O)(=O)CC)C(C)=O.
What is the InChIKey of N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is FKRGLMXBWPJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-5-14-9-8-10-15(6-2)16(14)18(13(4)19)12-11-17-22(20,21)7-3/h8-10,17H,5-7,11-12H2,1-4H3.
What are the key properties of N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide?
N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113058917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).