methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate

C18H20N2O5S — CID 2230199

IUPACmethyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-3-20(26(23,24)14-9-5-4-6-10-14)13-17(21)19-16-12-8-7-11-15(16)18(22)25-2/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyFIJWZLJLCSYRAG-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.12
Rot. Bonds7

About methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate (PubChem CID 2230199) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate
PubChem CID2230199
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-3-20(26(23,24)14-9-5-4-6-10-14)13-17(21)19-16-12-8-7-11-15(16)18(22)25-2/h4-12H,3,13H2,1-2H3,(H,19,21)
InChIKeyFIJWZLJLCSYRAG-UHFFFAOYSA-N
XLogP2.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate (CID 2230199) is methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate is CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate?
The InChIKey is FIJWZLJLCSYRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-20(26(23,24)14-9-5-4-6-10-14)13-17(21)19-16-12-8-7-11-15(16)18(22)25-2/h4-12H,3,13H2,1-2H3,(H,19,21).
What are the key properties of methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate has a molecular weight of 376.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 2230199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).