N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

C22H24N2O4S — CID 53059784

IUPACN-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cccc3C)c2)on1
InChIInChI=1S/C22H24N2O4S/c1-14-8-9-18(19-12-17(4)24-28-19)13-20(14)29(26,27)11-10-21(25)23-22-15(2)6-5-7-16(22)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyZEGZHZNDTBFXCP-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.38
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide

N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (PubChem CID 53059784) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
PubChem CID53059784
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cccc3C)c2)on1
InChIInChI=1S/C22H24N2O4S/c1-14-8-9-18(19-12-17(4)24-28-19)13-20(14)29(26,27)11-10-21(25)23-22-15(2)6-5-7-16(22)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyZEGZHZNDTBFXCP-UHFFFAOYSA-N
XLogP4.38
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide (CID 53059784) is N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)CCC(=O)Nc3c(C)cccc3C)c2)on1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
The InChIKey is ZEGZHZNDTBFXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-14-8-9-18(19-12-17(4)24-28-19)13-20(14)29(26,27)11-10-21(25)23-22-15(2)6-5-7-16(22)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide?
N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide has a molecular weight of 412.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide is sourced from PubChem (CID 53059784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).