3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide

C20H24N2O4S — CID 110419509

IUPAC3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-11-14(2)20(15(3)12-13)22-19(24)9-10-27(25,26)18-7-5-17(6-8-18)21-16(4)23/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHBTXIXRBJPTDFX-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.37
Rot. Bonds6

About 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide

3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 110419509) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID110419509
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H24N2O4S/c1-13-11-14(2)20(15(3)12-13)22-19(24)9-10-27(25,26)18-7-5-17(6-8-18)21-16(4)23/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyHBTXIXRBJPTDFX-UHFFFAOYSA-N
XLogP3.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2355618
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
CID 110406865
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 15994881
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide (CID 110419509) is 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is HBTXIXRBJPTDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13-11-14(2)20(15(3)12-13)22-19(24)9-10-27(25,26)18-7-5-17(6-8-18)21-16(4)23/h5-8,11-12H,9-10H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide?
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 110419509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).