[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate

C18H17F2NO6S — CID 7956730

IUPAC[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO6S/c1-11(17(23)12-6-8-13(26-2)9-7-12)27-16(22)10-21-28(24,25)18-14(19)4-3-5-15(18)20/h3-9,11,21H,10H2,1-2H3/t11-/m1/s1
InChIKeyFOBDSFNMQOUFOC-LLVKDONJSA-N
MW413.40 g/mol
LogP2.07
Rot. Bonds8

About [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate

[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate (PubChem CID 7956730) has the molecular formula C18H17F2NO6S and a molecular weight of 413.40 g/mol. Its IUPAC name is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
PubChem CID7956730
Molecular FormulaC18H17F2NO6S
Molecular Weight413.40 g/mol
Exact Mass413.07
IUPAC Name[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
SMILESCOc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C18H17F2NO6S/c1-11(17(23)12-6-8-13(26-2)9-7-12)27-16(22)10-21-28(24,25)18-14(19)4-3-5-15(18)20/h3-9,11,21H,10H2,1-2H3/t11-/m1/s1
InChIKeyFOBDSFNMQOUFOC-LLVKDONJSA-N
XLogP2.07
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate
CID 8657333
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2596265
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653682
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925423
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168409
propan-2-yl 3-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 47121963
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 7234424
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828136
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884403
[2-(2-methoxyphenyl)-2-oxoethyl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate
CID 7956270

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The IUPAC name of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate (CID 7956730) is [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate.
What is the SMILES notation for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The canonical SMILES for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate is COc1ccc(C(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
The InChIKey is FOBDSFNMQOUFOC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F2NO6S/c1-11(17(23)12-6-8-13(26-2)9-7-12)27-16(22)10-21-28(24,25)18-14(19)4-3-5-15(18)20/h3-9,11,21H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate?
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate has a molecular weight of 413.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(2,6-difluorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 7956730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).