1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone

C17H25NO4S — CID 133463572

IUPAC1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(NC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H25NO4S/c1-11(19)12-7-8-14(23(6,20)21)13(9-12)18-15-10-16(2,3)22-17(15,4)5/h7-9,15,18H,10H2,1-6H3
InChIKeyYUOZLBQAJAFRNC-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.05
Rot. Bonds4

About 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone

1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone (PubChem CID 133463572) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone
PubChem CID133463572
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(S(C)(=O)=O)c(NC2CC(C)(C)OC2(C)C)c1
InChIInChI=1S/C17H25NO4S/c1-11(19)12-7-8-14(23(6,20)21)13(9-12)18-15-10-16(2,3)22-17(15,4)5/h7-9,15,18H,10H2,1-6H3
InChIKeyYUOZLBQAJAFRNC-UHFFFAOYSA-N
XLogP3.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone (CID 133463572) is 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone is CC(=O)c1ccc(S(C)(=O)=O)c(NC2CC(C)(C)OC2(C)C)c1.
What is the InChIKey of 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone?
The InChIKey is YUOZLBQAJAFRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-11(19)12-7-8-14(23(6,20)21)13(9-12)18-15-10-16(2,3)22-17(15,4)5/h7-9,15,18H,10H2,1-6H3.
What are the key properties of 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone?
1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methylsulfonyl-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanone is sourced from PubChem (CID 133463572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).