2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide

C13H15NO3S — CID 2999303

IUPAC2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide
SMILESCc1ccccc1SCC(=O)NC1CCOC1=O
InChIInChI=1S/C13H15NO3S/c1-9-4-2-3-5-11(9)18-8-12(15)14-10-6-7-17-13(10)16/h2-5,10H,6-8H2,1H3,(H,14,15)
InChIKeyFTZAWRDHKONPGZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide

2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 2999303) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide
PubChem CID2999303
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide
SMILESCc1ccccc1SCC(=O)NC1CCOC1=O
InChIInChI=1S/C13H15NO3S/c1-9-4-2-3-5-11(9)18-8-12(15)14-10-6-7-17-13(10)16/h2-5,10H,6-8H2,1H3,(H,14,15)
InChIKeyFTZAWRDHKONPGZ-UHFFFAOYSA-N
XLogP1.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide (CID 2999303) is 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide is Cc1ccccc1SCC(=O)NC1CCOC1=O.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is FTZAWRDHKONPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-4-2-3-5-11(9)18-8-12(15)14-10-6-7-17-13(10)16/h2-5,10H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide?
2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 265.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 2999303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).