3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide

C16H24N2O4S — CID 4085179

IUPAC3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)15-5-2-14(3-6-15)4-7-16(19)17-8-9-18-10-12-22-13-11-18/h2-3,5-6H,4,7-13H2,1H3,(H,17,19)
InChIKeyJEOUGZIBONCMAY-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.47
Rot. Bonds7

About 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide

3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 4085179) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID4085179
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-23(20,21)15-5-2-14(3-6-15)4-7-16(19)17-8-9-18-10-12-22-13-11-18/h2-3,5-6H,4,7-13H2,1H3,(H,17,19)
InChIKeyJEOUGZIBONCMAY-UHFFFAOYSA-N
XLogP0.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide (CID 4085179) is 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide is CS(=O)(=O)c1ccc(CCC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is JEOUGZIBONCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-23(20,21)15-5-2-14(3-6-15)4-7-16(19)17-8-9-18-10-12-22-13-11-18/h2-3,5-6H,4,7-13H2,1H3,(H,17,19).
What are the key properties of 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 340.44 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 4085179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).