2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide

C24H25NO3S — CID 155510283

IUPAC2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)(CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-18-9-13-21(14-10-18)25-23(26)24(3,20-7-5-4-6-8-20)17-29(27,28)22-15-11-19(2)12-16-22/h4-16H,17H2,1-3H3,(H,25,26)
InChIKeyCWFJMBXTBIMMMS-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.67
Rot. Bonds6

About 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide

2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide (PubChem CID 155510283) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
PubChem CID155510283
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
SMILESCc1ccc(NC(=O)C(C)(CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-18-9-13-21(14-10-18)25-23(26)24(3,20-7-5-4-6-8-20)17-29(27,28)22-15-11-19(2)12-16-22/h4-16H,17H2,1-3H3,(H,25,26)
InChIKeyCWFJMBXTBIMMMS-UHFFFAOYSA-N
XLogP4.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
CID 132558243
2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3512423
2-methyl-3-(4-methylphenyl)sulfonyl-N-phenylpropanamide
CID 10245288
2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155555133
N-(2,3-dimethyl-2-phenylbut-3-enyl)-4-methylbenzenesulfonamide
CID 10065175
3-(4-methylphenyl)-2,2-diphenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 100781946
methyl 2-iodo-2-methyl-3-(4-methylphenyl)sulfonylpropanoate
CID 14112888
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
N-[4-(2,2,2-trifluoroethylsulfonyl)phenyl]benzamide
CID 174889531
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-[4-[methyl-(2-methyl-2-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 110669737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide (CID 155510283) is 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide is Cc1ccc(NC(=O)C(C)(CS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide?
The InChIKey is CWFJMBXTBIMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-18-9-13-21(14-10-18)25-23(26)24(3,20-7-5-4-6-8-20)17-29(27,28)22-15-11-19(2)12-16-22/h4-16H,17H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide?
2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide has a molecular weight of 407.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide is sourced from PubChem (CID 155510283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).