methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate

C20H21NO7S — CID 7725653

IUPACmethyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO7S/c1-14(22)16-7-9-18(10-8-16)29(25,26)21-12-11-19(23)28-13-15-3-5-17(6-4-15)20(24)27-2/h3-10,21H,11-13H2,1-2H3
InChIKeySSOZLUZLLCEIAH-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.09
Rot. Bonds9

About methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate

methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate (PubChem CID 7725653) has the molecular formula C20H21NO7S and a molecular weight of 419.46 g/mol. Its IUPAC name is methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
PubChem CID7725653
Molecular FormulaC20H21NO7S
Molecular Weight419.46 g/mol
Exact Mass419.10
IUPAC Namemethyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H21NO7S/c1-14(22)16-7-9-18(10-8-16)29(25,26)21-12-11-19(23)28-13-15-3-5-17(6-4-15)20(24)27-2/h3-10,21H,11-13H2,1-2H3
InChIKeySSOZLUZLLCEIAH-UHFFFAOYSA-N
XLogP2.09
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
CID 7725647
methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfamoyl]benzoate
CID 21348248
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
4-acetyl-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 60643280
(4-phenylphenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 18226800
(4-cyanophenyl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 3665647

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate?
The IUPAC name of methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate (CID 7725653) is methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate.
What is the SMILES notation for methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate?
The canonical SMILES for methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate is COC(=O)c1ccc(COC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate?
The InChIKey is SSOZLUZLLCEIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7S/c1-14(22)16-7-9-18(10-8-16)29(25,26)21-12-11-19(23)28-13-15-3-5-17(6-4-15)20(24)27-2/h3-10,21H,11-13H2,1-2H3.
What are the key properties of methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate?
methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate has a molecular weight of 419.46 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate is sourced from PubChem (CID 7725653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).