N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C19H22N2O3S — CID 40682649

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(3)25(23,24)13-12-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,20,22)/b13-12+
InChIKeySLOOLTIGEZTYBF-OUKQBFOZSA-N
MW358.46 g/mol
LogP3.17
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 40682649) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID40682649
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(3)25(23,24)13-12-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,20,22)/b13-12+
InChIKeySLOOLTIGEZTYBF-OUKQBFOZSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
(E)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylprop-2-enamide
CID 8500811
N-methyl-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 9428614
N-(4-ethoxyphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9400832
N-(2,6-dimethylphenyl)-2-[methyl-(4-phenylphenyl)sulfonylamino]acetamide
CID 55908373
N-(1H-benzimidazol-2-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 8850309
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 17466670
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2-phenylsulfanylethyl)acetamide
CID 9483076
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-methylpiperazin-1-yl)acetamide
CID 9205651
2-[benzenesulfonyl(ethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 3877866
2-[benzenesulfonyl(methyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 891784
2-[2-(4-chlorophenyl)ethenylsulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 78665804

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 40682649) is N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is SLOOLTIGEZTYBF-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-8-7-9-16(2)19(15)20-18(22)14-21(3)25(23,24)13-12-17-10-5-4-6-11-17/h4-13H,14H2,1-3H3,(H,20,22)/b13-12+.
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 40682649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).