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

C16H17NO2S — CID 7506189

IUPACN-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
SMILESCSc1ccc(COc2ccccc2NC(C)=O)cc1
InChIInChI=1S/C16H17NO2S/c1-12(18)17-15-5-3-4-6-16(15)19-11-13-7-9-14(20-2)10-8-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeySDLGWAVVPMDFNL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds5

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

N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide (PubChem CID 7506189) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
PubChem CID7506189
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
SMILESCSc1ccc(COc2ccccc2NC(C)=O)cc1
InChIInChI=1S/C16H17NO2S/c1-12(18)17-15-5-3-4-6-16(15)19-11-13-7-9-14(20-2)10-8-13/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeySDLGWAVVPMDFNL-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-acetyl-2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide
CID 24609110
N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9137754
N-[2-[(3-amino-4-bromophenyl)methoxy]phenyl]acetamide
CID 115557455
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]phenyl]acetamide
CID 9017937
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide (CID 7506189) is N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide is CSc1ccc(COc2ccccc2NC(C)=O)cc1.
What is the InChIKey of N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
The InChIKey is SDLGWAVVPMDFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-12(18)17-15-5-3-4-6-16(15)19-11-13-7-9-14(20-2)10-8-13/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide?
N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide has a molecular weight of 287.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylsulfanylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 7506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).