2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide

C19H27ClN2O4S2 — CID 2204326

IUPAC2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O4S2/c1-14-11-16(20)18(28(24,25)22-7-9-27-10-8-22)12-17(14)26-13-19(23)21-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3,(H,21,23)
InChIKeyUPPGWLFRJNIMOX-UHFFFAOYSA-N
MW447.02 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide

2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide (PubChem CID 2204326) has the molecular formula C19H27ClN2O4S2 and a molecular weight of 447.02 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide
PubChem CID2204326
Molecular FormulaC19H27ClN2O4S2
Molecular Weight447.02 g/mol
Exact Mass446.11
IUPAC Name2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O4S2/c1-14-11-16(20)18(28(24,25)22-7-9-27-10-8-22)12-17(14)26-13-19(23)21-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3,(H,21,23)
InChIKeyUPPGWLFRJNIMOX-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.02
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide (CID 2204326) is 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide is Cc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide?
The InChIKey is UPPGWLFRJNIMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4S2/c1-14-11-16(20)18(28(24,25)22-7-9-27-10-8-22)12-17(14)26-13-19(23)21-15-5-3-2-4-6-15/h11-12,15H,2-10,13H2,1H3,(H,21,23).
What are the key properties of 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide?
2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide has a molecular weight of 447.02 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 2204326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).