2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid

C15H19NO6S — CID 119248776

IUPAC2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO6S/c1-2-23(20,21)13-6-4-3-5-12(13)15(19)16-7-8-22-11(10-16)9-14(17)18/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyUXRUDPWDGOYEFN-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.80
Rot. Bonds5

About 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid

2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119248776) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
PubChem CID119248776
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid
SMILESCCS(=O)(=O)c1ccccc1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO6S/c1-2-23(20,21)13-6-4-3-5-12(13)15(19)16-7-8-22-11(10-16)9-14(17)18/h3-6,11H,2,7-10H2,1H3,(H,17,18)
InChIKeyUXRUDPWDGOYEFN-UHFFFAOYSA-N
XLogP0.80
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-propylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 119248779
2-[4-(2-nitrobenzoyl)morpholin-2-yl]acetic acid
CID 66421162
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
2-[(2R)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholin-2-yl]acetic acid
CID 125134078
2-[4-(2-methylquinoline-8-carbonyl)morpholin-2-yl]acetic acid
CID 120527700
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
2-[(2R)-4-(2,5-difluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 124695384
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
2-[(2R)-4-(2-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124704985
2-[4-[5-(diethylsulfamoyl)-2-methylbenzoyl]morpholin-2-yl]acetic acid
CID 119248737
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid (CID 119248776) is 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid is CCS(=O)(=O)c1ccccc1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is UXRUDPWDGOYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-2-23(20,21)13-6-4-3-5-12(13)15(19)16-7-8-22-11(10-16)9-14(17)18/h3-6,11H,2,7-10H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 341.39 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylsulfonylbenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).