ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate

C17H20N2O5S2 — CID 3243538

IUPACethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-2-24-15(20)12-18-17(21)14(11-13-7-4-3-5-8-13)19-26(22,23)16-9-6-10-25-16/h3-10,14,19H,2,11-12H2,1H3,(H,18,21)
InChIKeyKDEBSQJXNYOVJU-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.32
Rot. Bonds9

About ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate

ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate (PubChem CID 3243538) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
PubChem CID3243538
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Nameethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-2-24-15(20)12-18-17(21)14(11-13-7-4-3-5-8-13)19-26(22,23)16-9-6-10-25-16/h3-10,14,19H,2,11-12H2,1H3,(H,18,21)
InChIKeyKDEBSQJXNYOVJU-UHFFFAOYSA-N
XLogP1.32
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate (CID 3243538) is ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate is CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1.
What is the InChIKey of ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate?
The InChIKey is KDEBSQJXNYOVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-2-24-15(20)12-18-17(21)14(11-13-7-4-3-5-8-13)19-26(22,23)16-9-6-10-25-16/h3-10,14,19H,2,11-12H2,1H3,(H,18,21).
What are the key properties of ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate?
ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate has a molecular weight of 396.49 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 3243538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).