2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide

C19H23NO3S — CID 86992899

IUPAC2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)C(C)C(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-18(15(2)13-14)24(22,23)16(3)19(21)20-12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyJCKSQWVXPPSEMB-UHFFFAOYSA-N
MW345.46 g/mol
LogP2.82
Rot. Bonds6

About 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide

2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide (PubChem CID 86992899) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide
PubChem CID86992899
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)C(C)C(=O)NCCc2ccccc2)c(C)c1
InChIInChI=1S/C19H23NO3S/c1-14-9-10-18(15(2)13-14)24(22,23)16(3)19(21)20-12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyJCKSQWVXPPSEMB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
N-(2-phenylethyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890199
N-(2-phenylethyl)-2-pyridin-2-ylsulfonylpropanamide
CID 86992799
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 2962930
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
N'-(2,4-dimethylphenyl)-N-(2-phenylethyl)butanediamide
CID 4524701
2-(2-amino-5-methylphenyl)sulfonyl-N-(2-methylpropyl)propanamide
CID 81182888
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide (CID 86992899) is 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide is Cc1ccc(S(=O)(=O)C(C)C(=O)NCCc2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide?
The InChIKey is JCKSQWVXPPSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-9-10-18(15(2)13-14)24(22,23)16(3)19(21)20-12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide?
2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 86992899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).