[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate

C19H19F2NO6S — CID 55386201

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H19F2NO6S/c1-12(18(24)14-5-7-15(8-6-14)22-29(2,25)26)27-17(23)11-13-3-9-16(10-4-13)28-19(20)21/h3-10,12,19,22H,11H2,1-2H3
InChIKeyYFDRZCXSDNEBTH-UHFFFAOYSA-N
MW427.43 g/mol
LogP3.02
Rot. Bonds9

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate (PubChem CID 55386201) has the molecular formula C19H19F2NO6S and a molecular weight of 427.43 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
PubChem CID55386201
Molecular FormulaC19H19F2NO6S
Molecular Weight427.43 g/mol
Exact Mass427.09
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
SMILESCC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H19F2NO6S/c1-12(18(24)14-5-7-15(8-6-14)22-29(2,25)26)27-17(23)11-13-3-9-16(10-4-13)28-19(20)21/h3-10,12,19,22H,11H2,1-2H3
InChIKeyYFDRZCXSDNEBTH-UHFFFAOYSA-N
XLogP3.02
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
CID 55358901
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 40747138
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
N-(4-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
N-[4-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]phenyl]methanesulfonamide
CID 76878493
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819650
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8582613
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 9140965

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate (CID 55386201) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate is CC(OC(=O)Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
The InChIKey is YFDRZCXSDNEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO6S/c1-12(18(24)14-5-7-15(8-6-14)22-29(2,25)26)27-17(23)11-13-3-9-16(10-4-13)28-19(20)21/h3-10,12,19,22H,11H2,1-2H3.
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate has a molecular weight of 427.43 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate is sourced from PubChem (CID 55386201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).