N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

C22H24N2O5S — CID 5308176

IUPACN-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1
InChIInChI=1S/C22H24N2O5S/c1-14-8-9-15(2)19(10-14)23-21(25)13-30(26,27)12-20-16(3)29-22(24-20)17-6-5-7-18(11-17)28-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyAYBYWWWQCRFLLC-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.83
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide

N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 5308176) has the molecular formula C22H24N2O5S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID5308176
Molecular FormulaC22H24N2O5S
Molecular Weight428.51 g/mol
Exact Mass428.14
IUPAC NameN-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1
InChIInChI=1S/C22H24N2O5S/c1-14-8-9-15(2)19(10-14)23-21(25)13-30(26,27)12-20-16(3)29-22(24-20)17-6-5-7-18(11-17)28-4/h5-11H,12-13H2,1-4H3,(H,23,25)
InChIKeyAYBYWWWQCRFLLC-UHFFFAOYSA-N
XLogP3.83
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 5308176) is N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cc(C)ccc3C)c(C)o2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is AYBYWWWQCRFLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5S/c1-14-8-9-15(2)19(10-14)23-21(25)13-30(26,27)12-20-16(3)29-22(24-20)17-6-5-7-18(11-17)28-4/h5-11H,12-13H2,1-4H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 5308176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).