2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C19H23NO3S — CID 78761169

IUPAC2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-13(2)17-7-5-6-15(4)19(17)20-18(21)12-24(22,23)16-10-8-14(3)9-11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyGADAQMHAQZFCCE-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 78761169) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID78761169
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cc1
InChIInChI=1S/C19H23NO3S/c1-13(2)17-7-5-6-15(4)19(17)20-18(21)12-24(22,23)16-10-8-14(3)9-11-16/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyGADAQMHAQZFCCE-UHFFFAOYSA-N
XLogP3.84
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 3880241
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-4-oxobutanamide
CID 108796274
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
2-(2,4-dimethylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 100755607
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 126324563
2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 78761169) is 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1ccc(S(=O)(=O)CC(=O)Nc2c(C)cccc2C(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is GADAQMHAQZFCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13(2)17-7-5-6-15(4)19(17)20-18(21)12-24(22,23)16-10-8-14(3)9-11-16/h5-11,13H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 78761169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).