2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide

C15H22N2O4S — CID 3546363

IUPAC2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)14-4-2-13(3-5-14)12-15(18)16-6-7-17-8-10-21-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)
InChIKeyADXCHIJUDHBXNL-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.08
Rot. Bonds6

About 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 3546363) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID3546363
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)14-4-2-13(3-5-14)12-15(18)16-6-7-17-8-10-21-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)
InChIKeyADXCHIJUDHBXNL-UHFFFAOYSA-N
XLogP0.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-[2-(4-methylsulfonylphenyl)acetyl]-N-(3-morpholin-4-ylpropyl)pyrazolidine-1-carbothioamide
CID 74224103
2-methyl-5-methylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 55342252
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
1-(2-morpholin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108988277
N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
CID 98018394
N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910
2-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 21071886
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767662

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 3546363) is 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ADXCHIJUDHBXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)14-4-2-13(3-5-14)12-15(18)16-6-7-17-8-10-21-11-9-17/h2-5H,6-12H2,1H3,(H,16,18).
What are the key properties of 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 3546363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).