2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

C16H23NO2S — CID 43233697

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CSc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C16H23NO2S/c1-10(2)16(13(5)18)17-15(19)9-20-14-7-6-11(3)12(4)8-14/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyAKURTORBAFBDHA-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.13
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 43233697) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID43233697
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)CSc1ccc(C)c(C)c1)C(C)C
InChIInChI=1S/C16H23NO2S/c1-10(2)16(13(5)18)17-15(19)9-20-14-7-6-11(3)12(4)8-14/h6-8,10,16H,9H2,1-5H3,(H,17,19)
InChIKeyAKURTORBAFBDHA-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 43233697) is 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)CSc1ccc(C)c(C)c1)C(C)C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is AKURTORBAFBDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-10(2)16(13(5)18)17-15(19)9-20-14-7-6-11(3)12(4)8-14/h6-8,10,16H,9H2,1-5H3,(H,17,19).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-(2-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 43233697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).