3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide

C19H23NO3S — CID 8961396

IUPAC3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)16-6-8-17(9-7-16)20-19(21)12-13-24(22,23)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyHKODEKUZHNHYBO-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds6

About 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide

3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 8961396) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID8961396
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14(2)16-6-8-17(9-7-16)20-19(21)12-13-24(22,23)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKeyHKODEKUZHNHYBO-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)acetamide
CID 3937721
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-[4-(difluoromethylsulfanyl)phenyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 8701315
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
3-(4-methylphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 55359512
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 2612880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide (CID 8961396) is 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HKODEKUZHNHYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(2)16-6-8-17(9-7-16)20-19(21)12-13-24(22,23)18-10-4-15(3)5-11-18/h4-11,14H,12-13H2,1-3H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide?
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 8961396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).