2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide

C19H29NO4S — CID 118766604

IUPAC2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCc1ccccc1C1(CC(=O)NCCS(C)(=O)=O)CCOC(C)(C)C1
InChIInChI=1S/C19H29NO4S/c1-15-7-5-6-8-16(15)19(9-11-24-18(2,3)14-19)13-17(21)20-10-12-25(4,22)23/h5-8H,9-14H2,1-4H3,(H,20,21)
InChIKeyVKRFHCFMCUZCKA-UHFFFAOYSA-N
MW367.51 g/mol
LogP2.37
Rot. Bonds6

About 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide

2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide (PubChem CID 118766604) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
PubChem CID118766604
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Name2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCc1ccccc1C1(CC(=O)NCCS(C)(=O)=O)CCOC(C)(C)C1
InChIInChI=1S/C19H29NO4S/c1-15-7-5-6-8-16(15)19(9-11-24-18(2,3)14-19)13-17(21)20-10-12-25(4,22)23/h5-8H,9-14H2,1-4H3,(H,20,21)
InChIKeyVKRFHCFMCUZCKA-UHFFFAOYSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide (CID 118766604) is 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide is Cc1ccccc1C1(CC(=O)NCCS(C)(=O)=O)CCOC(C)(C)C1.
What is the InChIKey of 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is VKRFHCFMCUZCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15-7-5-6-8-16(15)19(9-11-24-18(2,3)14-19)13-17(21)20-10-12-25(4,22)23/h5-8H,9-14H2,1-4H3,(H,20,21).
What are the key properties of 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide?
2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 367.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-4-(2-methylphenyl)oxan-4-yl]-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 118766604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).