ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate

C19H19NO5S — CID 24688053

IUPACethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccccc1
InChIInChI=1S/C19H19NO5S/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)12-25-18(22)13-26-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyMTWYPEKDNHUXEC-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.14
Rot. Bonds8

About ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate

ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate (PubChem CID 24688053) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate
PubChem CID24688053
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Nameethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccccc1
InChIInChI=1S/C19H19NO5S/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)12-25-18(22)13-26-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,21)
InChIKeyMTWYPEKDNHUXEC-UHFFFAOYSA-N
XLogP3.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate (CID 24688053) is ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CSc1ccccc1.
What is the InChIKey of ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is MTWYPEKDNHUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)12-25-18(22)13-26-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate?
ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 373.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-phenylsulfanylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 24688053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).