methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate

C19H22N2O6S — CID 2980895

IUPACmethyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O6S/c1-4-21(28(24,25)15-11-9-14(26-2)10-12-15)13-18(22)20-17-8-6-5-7-16(17)19(23)27-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyXQTWYJCYUFDILU-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.13
Rot. Bonds8

About methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate

methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate (PubChem CID 2980895) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
PubChem CID2980895
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namemethyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O6S/c1-4-21(28(24,25)15-11-9-14(26-2)10-12-15)13-18(22)20-17-8-6-5-7-16(17)19(23)27-3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyXQTWYJCYUFDILU-UHFFFAOYSA-N
XLogP2.13
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2340937
Ethyl 2-[[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]benzoate
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2-(2-acetylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate (CID 2980895) is methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate is CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
The InChIKey is XQTWYJCYUFDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-21(28(24,25)15-11-9-14(26-2)10-12-15)13-18(22)20-17-8-6-5-7-16(17)19(23)27-3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate?
methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate has a molecular weight of 406.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate is sourced from PubChem (CID 2980895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).