2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

C17H17NO3S — CID 2709986

IUPAC2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H17NO3S/c1-12(19)13-6-8-15(9-7-13)21-11-17(20)18-14-4-3-5-16(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZQHAABLYFNPLLB-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide

2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2709986) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2709986
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H17NO3S/c1-12(19)13-6-8-15(9-7-13)21-11-17(20)18-14-4-3-5-16(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,20)
InChIKeyZQHAABLYFNPLLB-UHFFFAOYSA-N
XLogP3.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
2-(4-acetylphenoxy)-N-(3-chlorophenyl)acetamide
CID 2709970
3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210874
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 7210510
2-(4-acetylphenoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 2384611
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56507840

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide (CID 2709986) is 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)COc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is ZQHAABLYFNPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-12(19)13-6-8-15(9-7-13)21-11-17(20)18-14-4-3-5-16(10-14)22-2/h3-10H,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide?
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2709986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).