ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

C15H14N2O5S3 — CID 20950077

IUPACethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)on1
InChIInChI=1S/C15H14N2O5S3/c1-2-21-15(18)11-8-12(22-17-11)13-5-6-14(24-13)25(19,20)16-9-10-4-3-7-23-10/h3-8,16H,2,9H2,1H3
InChIKeyTVFXLKKSXKQNEF-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.12
Rot. Bonds7

About ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (PubChem CID 20950077) has the molecular formula C15H14N2O5S3 and a molecular weight of 398.49 g/mol. Its IUPAC name is ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
PubChem CID20950077
Molecular FormulaC15H14N2O5S3
Molecular Weight398.49 g/mol
Exact Mass398.01
IUPAC Nameethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)on1
InChIInChI=1S/C15H14N2O5S3/c1-2-21-15(18)11-8-12(22-17-11)13-5-6-14(24-13)25(19,20)16-9-10-4-3-7-23-10/h3-8,16H,2,9H2,1H3
InChIKeyTVFXLKKSXKQNEF-UHFFFAOYSA-N
XLogP3.12
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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5-(2-aminoethyl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
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4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
methyl 5-[5-[(4-fluorophenyl)sulfamoyl]thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 46341377
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate (CID 20950077) is ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(S(=O)(=O)NCc3cccs3)s2)on1.
What is the InChIKey of ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is TVFXLKKSXKQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S3/c1-2-21-15(18)11-8-12(22-17-11)13-5-6-14(24-13)25(19,20)16-9-10-4-3-7-23-10/h3-8,16H,2,9H2,1H3.
What are the key properties of ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 398.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 20950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).