2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

C12H17NOS — CID 7468602

IUPAC2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(N)=O)c1C
InChIInChI=1S/C12H17NOS/c1-7-5-8(2)10(4)12(9(7)3)15-6-11(13)14/h5H,6H2,1-4H3,(H2,13,14)
InChIKeyZXDMGWKSJKEFQF-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.50
Rot. Bonds3

About 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide

2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (PubChem CID 7468602) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.

Molecular Properties

Compound Name2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
PubChem CID7468602
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(C)c(SCC(N)=O)c1C
InChIInChI=1S/C12H17NOS/c1-7-5-8(2)10(4)12(9(7)3)15-6-11(13)14/h5H,6H2,1-4H3,(H2,13,14)
InChIKeyZXDMGWKSJKEFQF-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The IUPAC name of 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide (CID 7468602) is 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide.
What is the SMILES notation for 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The canonical SMILES for 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is Cc1cc(C)c(C)c(SCC(N)=O)c1C.
What is the InChIKey of 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
The InChIKey is ZXDMGWKSJKEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-7-5-8(2)10(4)12(9(7)3)15-6-11(13)14/h5H,6H2,1-4H3,(H2,13,14).
What are the key properties of 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide?
2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide has a molecular weight of 223.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7468602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).