methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate

C18H21NO5S — CID 46770861

IUPACmethyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-19(12-14-6-10-17(23-2)11-7-14)25(21,22)13-15-4-8-16(9-5-15)18(20)24-3/h4-11H,12-13H2,1-3H3
InChIKeyQOVALCVQNRPUSM-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.44
Rot. Bonds7

About methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate

methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate (PubChem CID 46770861) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
PubChem CID46770861
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
SMILESCOC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-19(12-14-6-10-17(23-2)11-7-14)25(21,22)13-15-4-8-16(9-5-15)18(20)24-3/h4-11H,12-13H2,1-3H3
InChIKeyQOVALCVQNRPUSM-UHFFFAOYSA-N
XLogP2.44
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 112822994
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methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
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methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-[[(2-methoxy-2-oxoethyl)-methylsulfamoyl]methyl]benzoic acid
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dimethyl 2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 55905259
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
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CID 55352617

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate?
The IUPAC name of methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate (CID 46770861) is methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate?
The canonical SMILES for methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate is COC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate?
The InChIKey is QOVALCVQNRPUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-19(12-14-6-10-17(23-2)11-7-14)25(21,22)13-15-4-8-16(9-5-15)18(20)24-3/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate?
methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate has a molecular weight of 363.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate is sourced from PubChem (CID 46770861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).