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

C12H13ClN2O2S — CID 2992022

IUPACN-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyFVVNWKVWNLTKPM-UHFFFAOYSA-N
MW284.77 g/mol
LogP1.90
Rot. Bonds3

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

N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (PubChem CID 2992022) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
PubChem CID2992022
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC NameN-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1Cl
InChIInChI=1S/C12H13ClN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyFVVNWKVWNLTKPM-UHFFFAOYSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide (CID 2992022) is N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is O=C(CC1SCCNC1=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
The InChIKey is FVVNWKVWNLTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-8-3-1-2-4-9(8)15-11(16)7-10-12(17)14-5-6-18-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide?
N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide has a molecular weight of 284.77 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-oxothiomorpholin-2-yl)acetamide is sourced from PubChem (CID 2992022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).