ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate

C19H21NO6S — CID 74224124

IUPACethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(N(C(=O)Cc2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C19H21NO6S/c1-4-26-19(22)15-9-7-10-16(12-15)20(27(3,23)24)18(21)13-14-8-5-6-11-17(14)25-2/h5-12H,4,13H2,1-3H3
InChIKeyWPOLSQYHBZARQM-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.41
Rot. Bonds7

About ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate

ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate (PubChem CID 74224124) has the molecular formula C19H21NO6S and a molecular weight of 391.45 g/mol. Its IUPAC name is ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate
PubChem CID74224124
Molecular FormulaC19H21NO6S
Molecular Weight391.45 g/mol
Exact Mass391.11
IUPAC Nameethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(N(C(=O)Cc2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C19H21NO6S/c1-4-26-19(22)15-9-7-10-16(12-15)20(27(3,23)24)18(21)13-14-8-5-6-11-17(14)25-2/h5-12H,4,13H2,1-3H3
InChIKeyWPOLSQYHBZARQM-UHFFFAOYSA-N
XLogP2.41
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 3-[(2-cyclopent-2-en-1-ylacetyl)-methylsulfonylamino]benzoate
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ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-[iodo(sulfanyl)amino]benzoate
CID 88954067
ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate
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ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate?
The IUPAC name of ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate (CID 74224124) is ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate is CCOC(=O)c1cccc(N(C(=O)Cc2ccccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate?
The InChIKey is WPOLSQYHBZARQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6S/c1-4-26-19(22)15-9-7-10-16(12-15)20(27(3,23)24)18(21)13-14-8-5-6-11-17(14)25-2/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate?
ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate has a molecular weight of 391.45 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(2-methoxyphenyl)acetyl]-methylsulfonylamino]benzoate is sourced from PubChem (CID 74224124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).