N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide

C23H23NO3S — CID 27990757

IUPACN-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-17-13-14-20(28(2,26)27)15-22(17)24-23(25)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,16H2,1-2H3,(H,24,25)
InChIKeyPPISEXPQADYAQL-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.56
Rot. Bonds6

About N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide

N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide (PubChem CID 27990757) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
PubChem CID27990757
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO3S/c1-17-13-14-20(28(2,26)27)15-22(17)24-23(25)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,16H2,1-2H3,(H,24,25)
InChIKeyPPISEXPQADYAQL-UHFFFAOYSA-N
XLogP4.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3,3-diphenylpropanamide
CID 4969682
3-amino-N-[2-methyl-5-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide;hydrochloride
CID 119950083
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
2,2-diethyl-4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid
CID 41391421
N-(2-methyl-5-methylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 51073188
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
2-(2-fluorophenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 51198508

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide (CID 27990757) is N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide?
The InChIKey is PPISEXPQADYAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-17-13-14-20(28(2,26)27)15-22(17)24-23(25)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21H,16H2,1-2H3,(H,24,25).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide?
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide is sourced from PubChem (CID 27990757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).