[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate

C20H23NO6S — CID 55357476

IUPAC[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23NO6S/c1-14-7-5-6-8-18(14)21(28(4,24)25)13-19(22)27-15(2)20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13H2,1-4H3
InChIKeyCJFGHOBHTBKAEE-UHFFFAOYSA-N
MW405.47 g/mol
LogP2.58
Rot. Bonds8

About [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate (PubChem CID 55357476) has the molecular formula C20H23NO6S and a molecular weight of 405.47 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
PubChem CID55357476
Molecular FormulaC20H23NO6S
Molecular Weight405.47 g/mol
Exact Mass405.12
IUPAC Name[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
SMILESCOc1ccc(C(=O)C(C)OC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C20H23NO6S/c1-14-7-5-6-8-18(14)21(28(4,24)25)13-19(22)27-15(2)20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13H2,1-4H3
InChIKeyCJFGHOBHTBKAEE-UHFFFAOYSA-N
XLogP2.58
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55357491
[(1S)-1-cyanoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508313
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8957482
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8957484
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8957480
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 55365841
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508333
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8957478
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4065981
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9477701
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The IUPAC name of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate (CID 55357476) is [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate.
What is the SMILES notation for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The canonical SMILES for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate is COc1ccc(C(=O)C(C)OC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
The InChIKey is CJFGHOBHTBKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6S/c1-14-7-5-6-8-18(14)21(28(4,24)25)13-19(22)27-15(2)20(23)16-9-11-17(26-3)12-10-16/h5-12,15H,13H2,1-4H3.
What are the key properties of [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate?
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate has a molecular weight of 405.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-N-methylsulfonylanilino)acetate is sourced from PubChem (CID 55357476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).