N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide

C16H20N2O5S — CID 71894477

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NS(=O)(=O)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C16H20N2O5S/c1-9-6-10(2)15(11(3)7-9)22-8-14(19)18-24(20,21)16-12(4)17-23-13(16)5/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyNGGMVVUDAKFVJJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.10
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 71894477) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID71894477
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NS(=O)(=O)c2c(C)noc2C)c(C)c1
InChIInChI=1S/C16H20N2O5S/c1-9-6-10(2)15(11(3)7-9)22-8-14(19)18-24(20,21)16-12(4)17-23-13(16)5/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyNGGMVVUDAKFVJJ-UHFFFAOYSA-N
XLogP2.10
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 71894477) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NS(=O)(=O)c2c(C)noc2C)c(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is NGGMVVUDAKFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-9-6-10(2)15(11(3)7-9)22-8-14(19)18-24(20,21)16-12(4)17-23-13(16)5/h6-7H,8H2,1-5H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 352.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 71894477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).