[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

C22H24FN3O7S — CID 4850793

IUPAC[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H24FN3O7S/c1-15(33-20(27)14-24-22(29)16-2-4-17(23)5-3-16)21(28)25-18-6-8-19(9-7-18)34(30,31)26-10-12-32-13-11-26/h2-9,15H,10-14H2,1H3,(H,24,29)(H,25,28)
InChIKeyYYRCUTWHGQVREO-UHFFFAOYSA-N
MW493.51 g/mol
LogP1.15
Rot. Bonds8

About [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate (PubChem CID 4850793) has the molecular formula C22H24FN3O7S and a molecular weight of 493.51 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
PubChem CID4850793
Molecular FormulaC22H24FN3O7S
Molecular Weight493.51 g/mol
Exact Mass493.13
IUPAC Name[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H24FN3O7S/c1-15(33-20(27)14-24-22(29)16-2-4-17(23)5-3-16)21(28)25-18-6-8-19(9-7-18)34(30,31)26-10-12-32-13-11-26/h2-9,15H,10-14H2,1H3,(H,24,29)(H,25,28)
InChIKeyYYRCUTWHGQVREO-UHFFFAOYSA-N
XLogP1.15
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.51
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 3153549
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790419
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate
CID 2108270
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate
CID 8548272
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881443
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885202
[(2S)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 26919544
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The IUPAC name of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate (CID 4850793) is [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The canonical SMILES for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
The InChIKey is YYRCUTWHGQVREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O7S/c1-15(33-20(27)14-24-22(29)16-2-4-17(23)5-3-16)21(28)25-18-6-8-19(9-7-18)34(30,31)26-10-12-32-13-11-26/h2-9,15H,10-14H2,1H3,(H,24,29)(H,25,28).
What are the key properties of [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate?
[1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate has a molecular weight of 493.51 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 4850793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).