3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid

C22H26N2O6S — CID 24663379

IUPAC3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(CCC(=O)O)cc2)CC(C)O1
InChIInChI=1S/C22H26N2O6S/c1-15-13-24(14-16(2)30-15)22(27)19-5-3-4-6-20(19)23-31(28,29)18-10-7-17(8-11-18)9-12-21(25)26/h3-8,10-11,15-16,23H,9,12-14H2,1-2H3,(H,25,26)
InChIKeySSUFGAPUFJOEJY-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.75
Rot. Bonds7

About 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid

3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid (PubChem CID 24663379) has the molecular formula C22H26N2O6S and a molecular weight of 446.53 g/mol. Its IUPAC name is 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
PubChem CID24663379
Molecular FormulaC22H26N2O6S
Molecular Weight446.53 g/mol
Exact Mass446.15
IUPAC Name3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
SMILESCC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(CCC(=O)O)cc2)CC(C)O1
InChIInChI=1S/C22H26N2O6S/c1-15-13-24(14-16(2)30-15)22(27)19-5-3-4-6-20(19)23-31(28,29)18-10-7-17(8-11-18)9-12-21(25)26/h3-8,10-11,15-16,23H,9,12-14H2,1-2H3,(H,25,26)
InChIKeySSUFGAPUFJOEJY-UHFFFAOYSA-N
XLogP2.75
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 25331426
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 25331350
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
CID 24663322
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-benzyl-3-(2,6-dimethylmorpholine-4-carbonyl)-4-methylbenzenesulfonamide
CID 42997440

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid (CID 24663379) is 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid is CC1CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc(CCC(=O)O)cc2)CC(C)O1.
What is the InChIKey of 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid?
The InChIKey is SSUFGAPUFJOEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6S/c1-15-13-24(14-16(2)30-15)22(27)19-5-3-4-6-20(19)23-31(28,29)18-10-7-17(8-11-18)9-12-21(25)26/h3-8,10-11,15-16,23H,9,12-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid?
3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid has a molecular weight of 446.53 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 24663379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).