2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide

C21H24FN3O6S — CID 78150538

IUPAC2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1CO
InChIInChI=1S/C21H24FN3O6S/c1-24(2)19(27)11-25-18(12-26)21(31-13-20(25)28)14-6-8-16(9-7-14)23-32(29,30)17-5-3-4-15(22)10-17/h3-10,18,21,23,26H,11-13H2,1-2H3
InChIKeyMMWQATVYCCKYKC-UHFFFAOYSA-N
MW465.50 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide

2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide (PubChem CID 78150538) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
PubChem CID78150538
Molecular FormulaC21H24FN3O6S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC Name2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)COC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1CO
InChIInChI=1S/C21H24FN3O6S/c1-24(2)19(27)11-25-18(12-26)21(31-13-20(25)28)14-6-8-16(9-7-14)23-32(29,30)17-5-3-4-15(22)10-17/h3-10,18,21,23,26H,11-13H2,1-2H3
InChIKeyMMWQATVYCCKYKC-UHFFFAOYSA-N
XLogP0.98
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

3-fluoro-N-[4-[(2R,3R)-3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]benzamide
CID 71693316
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-2-methylpropanamide
CID 71693590
N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
CID 78150625
N-[4-[4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,5-difluorobenzamide
CID 78150337
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-[2-(dimethylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9227015
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 78150686
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
CID 41342440
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
3-fluoro-N-[(5S)-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68830238

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide (CID 78150538) is 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)COC(c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)C1CO.
What is the InChIKey of 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The InChIKey is MMWQATVYCCKYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O6S/c1-24(2)19(27)11-25-18(12-26)21(31-13-20(25)28)14-6-8-16(9-7-14)23-32(29,30)17-5-3-4-15(22)10-17/h3-10,18,21,23,26H,11-13H2,1-2H3.
What are the key properties of 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide has a molecular weight of 465.50 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 78150538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).