N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide

C11H15NOS — CID 974628

IUPACN-(3,4-dimethylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C11H15NOS/c1-8-4-5-10(6-9(8)2)12-11(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMPWDKDIOOZCBEY-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.60
Rot. Bonds3

About N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide

N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide (PubChem CID 974628) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methylsulfanylacetamide
PubChem CID974628
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(3,4-dimethylphenyl)-2-methylsulfanylacetamide
SMILESCSCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C11H15NOS/c1-8-4-5-10(6-9(8)2)12-11(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKeyMPWDKDIOOZCBEY-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide (CID 974628) is N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide is CSCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide?
The InChIKey is MPWDKDIOOZCBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-8-4-5-10(6-9(8)2)12-11(13)7-14-3/h4-6H,7H2,1-3H3,(H,12,13).
What are the key properties of N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide?
N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide has a molecular weight of 209.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 974628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).