N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide

C12H17NO3S — CID 115191083

IUPACN-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
SMILESCOc1cc(N(C)C(C)=O)c(OC)cc1SC
InChIInChI=1S/C12H17NO3S/c1-8(14)13(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7H,1-5H3
InChIKeyTXQKUCNGKSWGKB-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.41
Rot. Bonds4

About N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide

N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide (PubChem CID 115191083) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
PubChem CID115191083
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide
SMILESCOc1cc(N(C)C(C)=O)c(OC)cc1SC
InChIInChI=1S/C12H17NO3S/c1-8(14)13(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7H,1-5H3
InChIKeyTXQKUCNGKSWGKB-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)-N-methylacetamide
CID 115190996
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
2-(2,5-dimethoxy-N-methyl-4-methylsulfanylanilino)propanenitrile
CID 115130098
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
1-methyl-1-(2,4,5-trimethoxyphenyl)urea
CID 115168286
N-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193852
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
N-[2-(2,5-dimethoxy-4-methylsulfanylphenyl)ethyl]acetamide
CID 86043168
1-cyano-N-methyl-N-(2,4,5-trimethoxyphenyl)formamide
CID 115172074
2-(2,5-dimethoxy-4-methylsulfanylanilino)acetic acid
CID 115218012

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide?
The IUPAC name of N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide (CID 115191083) is N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide is COc1cc(N(C)C(C)=O)c(OC)cc1SC.
What is the InChIKey of N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide?
The InChIKey is TXQKUCNGKSWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(14)13(2)9-6-11(16-4)12(17-5)7-10(9)15-3/h6-7H,1-5H3.
What are the key properties of N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide?
N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide has a molecular weight of 255.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-4-methylsulfanylphenyl)-N-methylacetamide is sourced from PubChem (CID 115191083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).