N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide

C19H23NO3S — CID 86926194

IUPACN-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-24(22,23)12-16-10-8-14(2)9-11-16/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyXJYOPSRJDBQCAY-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.42
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide

N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide (PubChem CID 86926194) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
PubChem CID86926194
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1ccc(C)cc1
InChIInChI=1S/C19H23NO3S/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-24(22,23)12-16-10-8-14(2)9-11-16/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyXJYOPSRJDBQCAY-UHFFFAOYSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925930
2-(2,4-dimethylphenyl)sulfonyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 86977651
N-(2-ethyl-6-methylphenyl)-3-[(4-methylphenyl)methylamino]propanamide
CID 109019985
N-(2,6-diethylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]acetamide
CID 86925946
N-(2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 19220419
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
CID 112997037
N-(2-ethyl-6-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19172373
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 30233542
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide (CID 86926194) is N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide is CCc1cccc(C)c1NC(=O)CS(=O)(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is XJYOPSRJDBQCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-17-7-5-6-15(3)19(17)20-18(21)13-24(22,23)12-16-10-8-14(2)9-11-16/h5-11H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 86926194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).