2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide

C19H27NO5S — CID 133267554

IUPAC2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1
InChIInChI=1S/C19H27NO5S/c1-26(22,23)16-4-2-14(3-5-16)12-19(21)20-18-8-11-25-13-17(18)15-6-9-24-10-7-15/h2-5,15,17-18H,6-13H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyLQTDXQBUMXTQGM-QZTJIDSGSA-N
MW381.49 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide

2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide (PubChem CID 133267554) has the molecular formula C19H27NO5S and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
PubChem CID133267554
Molecular FormulaC19H27NO5S
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC Name2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1
InChIInChI=1S/C19H27NO5S/c1-26(22,23)16-4-2-14(3-5-16)12-19(21)20-18-8-11-25-13-17(18)15-6-9-24-10-7-15/h2-5,15,17-18H,6-13H2,1H3,(H,20,21)/t17-,18-/m1/s1
InChIKeyLQTDXQBUMXTQGM-QZTJIDSGSA-N
XLogP1.58
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide (CID 133267554) is 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide is CS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide?
The InChIKey is LQTDXQBUMXTQGM-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H27NO5S/c1-26(22,23)16-4-2-14(3-5-16)12-19(21)20-18-8-11-25-13-17(18)15-6-9-24-10-7-15/h2-5,15,17-18H,6-13H2,1H3,(H,20,21)/t17-,18-/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide?
2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide has a molecular weight of 381.49 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide is sourced from PubChem (CID 133267554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).