[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate

C20H23NO6S — CID 46805687

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H23NO6S/c1-13-9-14(2)11-18(10-13)26-12-19(22)27-15(3)20(23)16-5-7-17(8-6-16)21-28(4,24)25/h5-11,15,21H,12H2,1-4H3
InChIKeyRMTFMCVPRORJSP-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.87
Rot. Bonds8

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate (PubChem CID 46805687) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
PubChem CID46805687
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
SMILESCc1cc(C)cc(OCC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C20H23NO6S/c1-13-9-14(2)11-18(10-13)26-12-19(22)27-15(3)20(23)16-5-7-17(8-6-16)21-28(4,24)25/h5-11,15,21H,12H2,1-4H3
InChIKeyRMTFMCVPRORJSP-UHFFFAOYSA-N
XLogP2.87
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 7853653
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386201
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819650
[(2S)-1-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 41450199
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203
N-[4-[2-(4-methylsulfonylphenoxy)propanoyl]phenyl]methanesulfonamide
CID 55358901
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 8582613
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 17473978

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate (CID 46805687) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate is Cc1cc(C)cc(OCC(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate?
The InChIKey is RMTFMCVPRORJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-13-9-14(2)11-18(10-13)26-12-19(22)27-15(3)20(23)16-5-7-17(8-6-16)21-28(4,24)25/h5-11,15,21H,12H2,1-4H3.
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate has a molecular weight of 405.47 g/mol, XLogP of 2.87, 8 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-(3,5-dimethylphenoxy)acetate is sourced from PubChem (CID 46805687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).