2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide

C15H18N2O4S2 — CID 25162476

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-10-14(11(2)21-17-10)8-22-9-15(18)16-12-4-6-13(7-5-12)23(3,19)20/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyUZCUQNHQEJSKEJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.57
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 25162476) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID25162476
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H18N2O4S2/c1-10-14(11(2)21-17-10)8-22-9-15(18)16-12-4-6-13(7-5-12)23(3,19)20/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyUZCUQNHQEJSKEJ-UHFFFAOYSA-N
XLogP2.57
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide (CID 25162476) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide is Cc1noc(C)c1CSCC(=O)Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is UZCUQNHQEJSKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-10-14(11(2)21-17-10)8-22-9-15(18)16-12-4-6-13(7-5-12)23(3,19)20/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 25162476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).