4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

C16H21FN2O6S — CID 122512103

IUPAC4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(CS(=O)(=O)CCO)C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O6S/c17-13-3-1-12(2-4-13)15(21)18-14(11-26(23,24)10-7-20)16(22)19-5-8-25-9-6-19/h1-4,14,20H,5-11H2,(H,18,21)
InChIKeyXJCXEVULDPIMAG-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.81
Rot. Bonds7

About 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (PubChem CID 122512103) has the molecular formula C16H21FN2O6S and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
PubChem CID122512103
Molecular FormulaC16H21FN2O6S
Molecular Weight388.42 g/mol
Exact Mass388.11
IUPAC Name4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESO=C(NC(CS(=O)(=O)CCO)C(=O)N1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O6S/c17-13-3-1-12(2-4-13)15(21)18-14(11-26(23,24)10-7-20)16(22)19-5-8-25-9-6-19/h1-4,14,20H,5-11H2,(H,18,21)
InChIKeyXJCXEVULDPIMAG-UHFFFAOYSA-N
XLogP-0.81
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide 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

N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
CID 140734604
4-fluoro-N-[3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512101
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123723921
N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 157391635
4-fluoro-N-[5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123672364
3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
CID 110347258
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 4660034
ethane;4-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)benzamide;2-methylsulfanylethanol
CID 145138996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (CID 122512103) is 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is O=C(NC(CS(=O)(=O)CCO)C(=O)N1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is XJCXEVULDPIMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O6S/c17-13-3-1-12(2-4-13)15(21)18-14(11-26(23,24)10-7-20)16(22)19-5-8-25-9-6-19/h1-4,14,20H,5-11H2,(H,18,21).
What are the key properties of 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 388.42 g/mol, XLogP of -0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 122512103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).