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

C22H22N2O6S — CID 20860707

IUPACN-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(C)=O)c3)c(C)o2)cc1
InChIInChI=1S/C22H22N2O6S/c1-14(25)17-5-4-6-18(11-17)23-21(26)13-31(27,28)12-20-15(2)30-22(24-20)16-7-9-19(29-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyRHRMVBDOXPKOMK-UHFFFAOYSA-N
MW442.49 g/mol
LogP3.41
Rot. Bonds8

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

N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (PubChem CID 20860707) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
PubChem CID20860707
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC NameN-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
SMILESCOc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(C)=O)c3)c(C)o2)cc1
InChIInChI=1S/C22H22N2O6S/c1-14(25)17-5-4-6-18(11-17)23-21(26)13-31(27,28)12-20-15(2)30-22(24-20)16-7-9-19(29-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyRHRMVBDOXPKOMK-UHFFFAOYSA-N
XLogP3.41
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide (CID 20860707) is N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3cccc(C(C)=O)c3)c(C)o2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
The InChIKey is RHRMVBDOXPKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-14(25)17-5-4-6-18(11-17)23-21(26)13-31(27,28)12-20-15(2)30-22(24-20)16-7-9-19(29-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide?
N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide has a molecular weight of 442.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide is sourced from PubChem (CID 20860707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).