(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate

C18H19NO6S — CID 46670202

IUPAC(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C18H19NO6S/c1-12(20)14-6-9-17(24-3)15(10-14)11-25-18(21)13-4-7-16(8-5-13)26(22,23)19-2/h4-10,19H,11H2,1-3H3
InChIKeyDSNWOZZRJKWPGA-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.16
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate

(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate (PubChem CID 46670202) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
PubChem CID46670202
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1
InChIInChI=1S/C18H19NO6S/c1-12(20)14-6-9-17(24-3)15(10-14)11-25-18(21)13-4-7-16(8-5-13)26(22,23)19-2/h4-10,19H,11H2,1-3H3
InChIKeyDSNWOZZRJKWPGA-UHFFFAOYSA-N
XLogP2.16
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045
(5-fluoro-2-methoxyphenyl)methyl 3-(methylsulfamoyl)benzoate
CID 9320186
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7909301
(2-methoxy-5-methylphenyl)methyl 4-methylsulfonylbenzoate
CID 8955135
(5-acetyl-2-methoxyphenyl)methyl 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 35808878
(5-chloro-2-methoxyphenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125528
(5-acetyl-2-methoxyphenyl)methyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate
CID 24978644
(5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976209
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate (CID 46670202) is (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate?
The InChIKey is DSNWOZZRJKWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c1-12(20)14-6-9-17(24-3)15(10-14)11-25-18(21)13-4-7-16(8-5-13)26(22,23)19-2/h4-10,19H,11H2,1-3H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate?
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate has a molecular weight of 377.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate is sourced from PubChem (CID 46670202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).