N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide

C18H19NO3S — CID 24609110

IUPACN-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
SMILESCSc1ccc(COc2cc(C(C)=O)ccc2NC(C)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-12(20)15-6-9-17(19-13(2)21)18(10-15)22-11-14-4-7-16(23-3)8-5-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyKRHRWTMLBZSDOZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.15
Rot. Bonds6

About N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide

N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide (PubChem CID 24609110) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
PubChem CID24609110
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
SMILESCSc1ccc(COc2cc(C(C)=O)ccc2NC(C)=O)cc1
InChIInChI=1S/C18H19NO3S/c1-12(20)15-6-9-17(19-13(2)21)18(10-15)22-11-14-4-7-16(23-3)8-5-14/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyKRHRWTMLBZSDOZ-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 7506189
N-[4-acetyl-2-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 17493434
2-(2-acetamido-5-acetylphenoxy)-N-ethylacetamide
CID 24534036
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
2-(2-acetamido-5-acetylphenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 17457848
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[3-fluoro-4-[(4-hydroxyphenyl)methoxy]phenyl]ethanone
CID 113389556
(5-acetyl-2-phenylmethoxyphenyl)urea
CID 21435558
2-(2-acetamido-5-acetylphenoxy)-N-(3-fluorophenyl)acetamide
CID 24534011
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-[4-[(4-fluorophenyl)methoxy]-3-nitrophenyl]ethanone
CID 2737280
N-(5-acetyl-2-phenylmethoxyphenyl)-2,2-dimethylpropanamide
CID 82156316

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide (CID 24609110) is N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide is CSc1ccc(COc2cc(C(C)=O)ccc2NC(C)=O)cc1.
What is the InChIKey of N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The InChIKey is KRHRWTMLBZSDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-12(20)15-6-9-17(19-13(2)21)18(10-15)22-11-14-4-7-16(23-3)8-5-14/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide has a molecular weight of 329.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 24609110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).