N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

C13H16N2O2S — CID 2981337

IUPACN-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)CC1SCCNC1=O
InChIInChI=1S/C13H16N2O2S/c1-9-4-2-3-5-10(9)15-12(16)8-11-13(17)14-6-7-18-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyDMUXIRFITAAQKZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.56
Rot. Bonds3

About N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide

N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 2981337) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID2981337
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)CC1SCCNC1=O
InChIInChI=1S/C13H16N2O2S/c1-9-4-2-3-5-10(9)15-12(16)8-11-13(17)14-6-7-18-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyDMUXIRFITAAQKZ-UHFFFAOYSA-N
XLogP1.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 2981337) is N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is Cc1ccccc1NC(=O)CC1SCCNC1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is DMUXIRFITAAQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-4-2-3-5-10(9)15-12(16)8-11-13(17)14-6-7-18-11/h2-5,11H,6-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 2981337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).