2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide

C17H23ClN2O4S2 — CID 27241017

IUPAC2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1)NC1CCCC1
InChIInChI=1S/C17H23ClN2O4S2/c18-13-5-6-15(24-12-17(21)19-14-3-1-2-4-14)16(11-13)26(22,23)20-7-9-25-10-8-20/h5-6,11,14H,1-4,7-10,12H2,(H,19,21)
InChIKeyXABUEGWISQMUDM-UHFFFAOYSA-N
MW418.97 g/mol
LogP2.52
Rot. Bonds6

About 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide

2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide (PubChem CID 27241017) has the molecular formula C17H23ClN2O4S2 and a molecular weight of 418.97 g/mol. Its IUPAC name is 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
PubChem CID27241017
Molecular FormulaC17H23ClN2O4S2
Molecular Weight418.97 g/mol
Exact Mass418.08
IUPAC Name2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1)NC1CCCC1
InChIInChI=1S/C17H23ClN2O4S2/c18-13-5-6-15(24-12-17(21)19-14-3-1-2-4-14)16(11-13)26(22,23)20-7-9-25-10-8-20/h5-6,11,14H,1-4,7-10,12H2,(H,19,21)
InChIKeyXABUEGWISQMUDM-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
2-(4-chloro-2-methyl-5-pyrrolidin-1-ylsulfonylphenoxy)-N-cyclohexylacetamide
CID 2203667
2-[5-(azepan-1-ylsulfonyl)-4-chloro-2-methylphenoxy]-N-cyclohexylacetamide
CID 1293677
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47910189
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 3987255
2-[4-chloro-2-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]-N-cyclopentylacetamide
CID 27242841

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide (CID 27241017) is 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide is O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1)NC1CCCC1.
What is the InChIKey of 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide?
The InChIKey is XABUEGWISQMUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4S2/c18-13-5-6-15(24-12-17(21)19-14-3-1-2-4-14)16(11-13)26(22,23)20-7-9-25-10-8-20/h5-6,11,14H,1-4,7-10,12H2,(H,19,21).
What are the key properties of 2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide?
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide has a molecular weight of 418.97 g/mol, XLogP of 2.52, 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-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 27241017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).