N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

C20H26N2O3S2 — CID 30275463

IUPACN-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-6-26-18-10-8-7-9-17(18)21-19(23)13-22(27(5,24)25)20-15(3)11-14(2)12-16(20)4/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyYYROSIILXRQTKV-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.13
Rot. Bonds7

About N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide

N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 30275463) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
PubChem CID30275463
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC NameN-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
SMILESCCSc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S2/c1-6-26-18-10-8-7-9-17(18)21-19(23)13-22(27(5,24)25)20-15(3)11-14(2)12-16(20)4/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyYYROSIILXRQTKV-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30268728
N-naphthalen-1-yl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30259474
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(2-ethylsulfanylphenyl)acetamide
CID 92646351
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
N-(5-chloro-2-methylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30265111
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30275465
N-(2-ethylsulfanylphenyl)-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92681759
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113154437
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55389024
4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)butanamide
CID 43909078
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113154012

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide (CID 30275463) is N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is CCSc1ccccc1NC(=O)CN(c1c(C)cc(C)cc1C)S(C)(=O)=O.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is YYROSIILXRQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-6-26-18-10-8-7-9-17(18)21-19(23)13-22(27(5,24)25)20-15(3)11-14(2)12-16(20)4/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide?
N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 406.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30275463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).