N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide

C20H25NO4S — CID 51191193

IUPACN-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(22)15(4)25-16-9-11-17(12-10-16)26(5,23)24/h6-13,15H,1-5H3,(H,21,22)
InChIKeyVJDXNQFYACXHLL-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.93
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide

N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide (PubChem CID 51191193) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
PubChem CID51191193
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H25NO4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(22)15(4)25-16-9-11-17(12-10-16)26(5,23)24/h6-13,15H,1-5H3,(H,21,22)
InChIKeyVJDXNQFYACXHLL-UHFFFAOYSA-N
XLogP3.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 53266192
(2R)-N-(2-methyl-6-propan-2-ylphenyl)-2-(4-nitrophenoxy)propanamide
CID 7816896
(2S)-N-(2-methyl-6-propan-2-ylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017144
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
2-[(4-methoxyphenyl)sulfonylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 4552394
(2S)-N-(2,6-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 51473397
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 7569722
(2S)-2-(2-ethylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 92674551
[1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 4-(methylsulfamoyl)benzoate
CID 46535437
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-chlorophenyl)-2-(4-methylsulfonylphenoxy)propanamide
CID 51236628
2-(4-fluorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 132760693

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide (CID 51191193) is N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide is Cc1cccc(C(C)C)c1NC(=O)C(C)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide?
The InChIKey is VJDXNQFYACXHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13(2)18-8-6-7-14(3)19(18)21-20(22)15(4)25-16-9-11-17(12-10-16)26(5,23)24/h6-13,15H,1-5H3,(H,21,22).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide?
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide has a molecular weight of 375.49 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-2-(4-methylsulfonylphenoxy)propanamide is sourced from PubChem (CID 51191193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).