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

C21H24FN3O6S — CID 71693494

IUPAC2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[C@H]1CO
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/t18-,21-/m1/s1
InChIKeyMMWQATVYCCKYKC-WIYYLYMNSA-N
MW465.50 g/mol
LogP0.98
Rot. Bonds7

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

2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide (PubChem CID 71693494) has the molecular formula C21H24FN3O6S and a molecular weight of 465.50 g/mol. Its IUPAC name is 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
PubChem CID71693494
Molecular FormulaC21H24FN3O6S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC Name2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[C@H]1CO
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/t18-,21-/m1/s1
InChIKeyMMWQATVYCCKYKC-WIYYLYMNSA-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-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide (CID 71693494) is 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)CO[C@H](c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)[C@H]1CO.
What is the InChIKey of 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
The InChIKey is MMWQATVYCCKYKC-WIYYLYMNSA-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/t18-,21-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide?
2-[(2R,3R)-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-[(2R,3R)-2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 71693494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).