N-(4-methoxy-3-methylsulfanylphenyl)acetamide

C10H13NO2S — CID 593064

IUPACN-(4-methoxy-3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1SC
InChIInChI=1S/C10H13NO2S/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyGWQLHSHKOBOZEI-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.38
Rot. Bonds3

About N-(4-methoxy-3-methylsulfanylphenyl)acetamide

N-(4-methoxy-3-methylsulfanylphenyl)acetamide (PubChem CID 593064) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(4-methoxy-3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylsulfanylphenyl)acetamide
PubChem CID593064
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC NameN-(4-methoxy-3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(NC(C)=O)cc1SC
InChIInChI=1S/C10H13NO2S/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyGWQLHSHKOBOZEI-UHFFFAOYSA-N
XLogP2.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-3-methylsulfanylphenyl)acetamide
CID 91881077
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-[4-methoxy-3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 96661325
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
5-acetamido-2-methoxybenzenesulfinic acid
CID 23466770
N-[3-[4-(5-acetamido-2-methoxyphenyl)-2,5-dioxopiperazin-1-yl]-4-methoxyphenyl]acetamide
CID 45355039
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
CID 62671021

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(4-methoxy-3-methylsulfanylphenyl)acetamide (CID 593064) is N-(4-methoxy-3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-methoxy-3-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(4-methoxy-3-methylsulfanylphenyl)acetamide is COc1ccc(NC(C)=O)cc1SC.
What is the InChIKey of N-(4-methoxy-3-methylsulfanylphenyl)acetamide?
The InChIKey is GWQLHSHKOBOZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7(12)11-8-4-5-9(13-2)10(6-8)14-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-(4-methoxy-3-methylsulfanylphenyl)acetamide?
N-(4-methoxy-3-methylsulfanylphenyl)acetamide has a molecular weight of 211.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 593064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).