N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide

C19H22N2O3S — CID 992727

IUPACN-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide
SMILESCSc1cc(C)c(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-17(25-4)10-13(2)19(12)24-11-18(23)21-16-7-5-15(6-8-16)20-14(3)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUIAOOYJZXMKWMC-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.00
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide

N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide (PubChem CID 992727) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide
PubChem CID992727
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide
SMILESCSc1cc(C)c(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-12-9-17(25-4)10-13(2)19(12)24-11-18(23)21-16-7-5-15(6-8-16)20-14(3)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyUIAOOYJZXMKWMC-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide (CID 992727) is N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide is CSc1cc(C)c(OCC(=O)Nc2ccc(NC(C)=O)cc2)c(C)c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide?
The InChIKey is UIAOOYJZXMKWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-12-9-17(25-4)10-13(2)19(12)24-11-18(23)21-16-7-5-15(6-8-16)20-14(3)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide?
N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide has a molecular weight of 358.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,6-dimethyl-4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 992727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).