2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide

C18H27N3O6S — CID 71693487

IUPAC2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide
SMILESCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1
InChIInChI=1S/C18H27N3O6S/c1-4-9-28(25,26)19-14-7-5-13(6-8-14)18-15(11-22)21(17(24)12-27-18)10-16(23)20(2)3/h5-8,15,18-19,22H,4,9-12H2,1-3H3/t15-,18-/m1/s1
InChIKeyGHFLRYDNGAFZTI-CRAIPNDOSA-N
MW413.50 g/mol
LogP0.19
Rot. Bonds8

About 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide

2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide (PubChem CID 71693487) has the molecular formula C18H27N3O6S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide
PubChem CID71693487
Molecular FormulaC18H27N3O6S
Molecular Weight413.50 g/mol
Exact Mass413.16
IUPAC Name2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide
SMILESCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1
InChIInChI=1S/C18H27N3O6S/c1-4-9-28(25,26)19-14-7-5-13(6-8-14)18-15(11-22)21(17(24)12-27-18)10-16(23)20(2)3/h5-8,15,18-19,22H,4,9-12H2,1-3H3/t15-,18-/m1/s1
InChIKeyGHFLRYDNGAFZTI-CRAIPNDOSA-N
XLogP0.19
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-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

Related Compounds

2-[2-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(hydroxymethyl)-5-oxomorpholin-4-yl]-N,N-dimethylacetamide
CID 78150538
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 78150520
N-[4-[4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]oxane-4-carboxamide
CID 78150542
N-[4-[(2R,3R)-4-[2-(dimethylamino)-2-oxoethyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 71693477
N-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 78150686
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]methanesulfonamide
CID 78150499
N-[4-[4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butanamide
CID 78150625
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
N-[4-[3-(hydroxymethyl)-4-(2-methylpropyl)-5-oxomorpholin-2-yl]phenyl]cyclopentanecarboxamide
CID 78150380
1-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-3-tert-butylurea
CID 71693270
N-[4-[(2R,3R)-3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]cyclopropanecarboxamide
CID 71693629
1-(4-fluorophenyl)-3-[4-[3-(hydroxymethyl)-4-methyl-5-oxomorpholin-2-yl]phenyl]urea
CID 78150676

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide (CID 71693487) is 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide is CCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2CO)cc1.
What is the InChIKey of 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide?
The InChIKey is GHFLRYDNGAFZTI-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H27N3O6S/c1-4-9-28(25,26)19-14-7-5-13(6-8-14)18-15(11-22)21(17(24)12-27-18)10-16(23)20(2)3/h5-8,15,18-19,22H,4,9-12H2,1-3H3/t15-,18-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide?
2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide has a molecular weight of 413.50 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-(hydroxymethyl)-5-oxo-2-[4-(propylsulfonylamino)phenyl]morpholin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 71693487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).