N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide

C20H26N2O3S2 — CID 100560523

IUPACN-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C20H26N2O3S2/c1-5-15-8-7-9-16(6-2)20(15)21-19(23)14-22(3)27(24,25)18-12-10-17(26-4)11-13-18/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyWBLZLZKFILYKNE-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.79
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide

N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide (PubChem CID 100560523) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
PubChem CID100560523
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1
InChIInChI=1S/C20H26N2O3S2/c1-5-15-8-7-9-16(6-2)20(15)21-19(23)14-22(3)27(24,25)18-12-10-17(26-4)11-13-18/h7-13H,5-6,14H2,1-4H3,(H,21,23)
InChIKeyWBLZLZKFILYKNE-UHFFFAOYSA-N
XLogP3.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2203258
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
N-(2,6-diethylphenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2988526
N-(2,6-diethylphenyl)-4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591623
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100503817
N-(3-chloro-2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26198480
N-butan-2-yl-2-[[2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 133210066
N-(2,6-diethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 1252577
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide (CID 100560523) is N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide is CCc1cccc(CC)c1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
The InChIKey is WBLZLZKFILYKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-5-15-8-7-9-16(6-2)20(15)21-19(23)14-22(3)27(24,25)18-12-10-17(26-4)11-13-18/h7-13H,5-6,14H2,1-4H3,(H,21,23).
What are the key properties of N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide?
N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100560523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).