N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide

C22H35FN2O6SSi — CID 140734604

IUPACN-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H35FN2O6SSi/c1-22(2,3)33(4,5)31-14-15-32(28,29)16-19(21(27)25-10-12-30-13-11-25)24-20(26)17-6-8-18(23)9-7-17/h6-9,19H,10-16H2,1-5H3,(H,24,26)/t19-/m0/s1
InChIKeyOGWJXWYYIVIIPG-IBGZPJMESA-N
MW502.68 g/mol
LogP2.22
Rot. Bonds9

About N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide

N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 140734604) has the molecular formula C22H35FN2O6SSi and a molecular weight of 502.68 g/mol. Its IUPAC name is N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
PubChem CID140734604
Molecular FormulaC22H35FN2O6SSi
Molecular Weight502.68 g/mol
Exact Mass502.20
IUPAC NameN-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide
SMILESCC(C)(C)[Si](C)(C)OCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C22H35FN2O6SSi/c1-22(2,3)33(4,5)31-14-15-32(28,29)16-19(21(27)25-10-12-30-13-11-25)24-20(26)17-6-8-18(23)9-7-17/h6-9,19H,10-16H2,1-5H3,(H,24,26)/t19-/m0/s1
InChIKeyOGWJXWYYIVIIPG-IBGZPJMESA-N
XLogP2.22
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 122512103
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CID 174790333
4-fluoro-N-[3-(2-hydroxyethylsulfanyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512101
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
N-[(2R)-3-[3-[(2R)-2-(4-methylphenyl)cyclopropyl]propylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 157391635
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
2-[(2S)-2-[(4-fluorobenzoyl)amino]-3-morpholin-4-yl-3-oxopropoxy]ethyl methanesulfonate;4-fluoro-N-[(2S)-3-[3-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]propoxy]-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide;trans-(1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine
CID 157231813
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 6724167
2-[(2R)-2-(4-fluoro-N-formylanilino)-3-morpholin-4-yl-3-oxopropyl]sulfonylethyl methanesulfonate
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N-[(2R)-1-(4-ethylpiperazin-1-yl)-3-[3-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]propylsulfonyl]-1-oxopropan-2-yl]-4-phenylbenzamide
CID 159839257
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764
3,4-difluoro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide (CID 140734604) is N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide is CC(C)(C)[Si](C)(C)OCCS(=O)(=O)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide?
The InChIKey is OGWJXWYYIVIIPG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H35FN2O6SSi/c1-22(2,3)33(4,5)31-14-15-32(28,29)16-19(21(27)25-10-12-30-13-11-25)24-20(26)17-6-8-18(23)9-7-17/h6-9,19H,10-16H2,1-5H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide?
N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 502.68 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylsulfonyl]-1-morpholin-4-yl-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 140734604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).