ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate

C15H16N2O5S2 — CID 3239211

IUPACethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O5S2/c1-2-22-15(19)11-5-3-6-12(9-11)17-13(18)10-16-24(20,21)14-7-4-8-23-14/h3-9,16H,2,10H2,1H3,(H,17,18)
InChIKeySNAZEYMECKFKON-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.84
Rot. Bonds7

About ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate

ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate (PubChem CID 3239211) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate
PubChem CID3239211
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Nameethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O5S2/c1-2-22-15(19)11-5-3-6-12(9-11)17-13(18)10-16-24(20,21)14-7-4-8-23-14/h3-9,16H,2,10H2,1H3,(H,17,18)
InChIKeySNAZEYMECKFKON-UHFFFAOYSA-N
XLogP1.84
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate (CID 3239211) is ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate?
The InChIKey is SNAZEYMECKFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-2-22-15(19)11-5-3-6-12(9-11)17-13(18)10-16-24(20,21)14-7-4-8-23-14/h3-9,16H,2,10H2,1H3,(H,17,18).
What are the key properties of ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate?
ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(thiophen-2-ylsulfonylamino)acetyl]amino]benzoate is sourced from PubChem (CID 3239211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).