2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide

C18H25NO2S — CID 60541733

IUPAC2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)c1c(C)cc(C)c(CSCC(=O)NCC2CC2)c1C
InChIInChI=1S/C18H25NO2S/c1-11-7-12(2)18(14(4)20)13(3)16(11)9-22-10-17(21)19-8-15-5-6-15/h7,15H,5-6,8-10H2,1-4H3,(H,19,21)
InChIKeySYTWZASVNQERCT-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.57
Rot. Bonds7

About 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide

2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide (PubChem CID 60541733) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide
PubChem CID60541733
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC Name2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide
SMILESCC(=O)c1c(C)cc(C)c(CSCC(=O)NCC2CC2)c1C
InChIInChI=1S/C18H25NO2S/c1-11-7-12(2)18(14(4)20)13(3)16(11)9-22-10-17(21)19-8-15-5-6-15/h7,15H,5-6,8-10H2,1-4H3,(H,19,21)
InChIKeySYTWZASVNQERCT-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide (CID 60541733) is 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide is CC(=O)c1c(C)cc(C)c(CSCC(=O)NCC2CC2)c1C.
What is the InChIKey of 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is SYTWZASVNQERCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-11-7-12(2)18(14(4)20)13(3)16(11)9-22-10-17(21)19-8-15-5-6-15/h7,15H,5-6,8-10H2,1-4H3,(H,19,21).
What are the key properties of 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide?
2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 319.47 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 60541733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).