ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate

C11H17NO4S2 — CID 10880845

IUPACethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(CC)CC)s1
InChIInChI=1S/C11H17NO4S2/c1-4-12(5-2)18(14,15)10-8-7-9(17-10)11(13)16-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQVTSDENZPDQXSX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.96
Rot. Bonds6

About ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate

ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 10880845) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate
PubChem CID10880845
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Nameethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(S(=O)(=O)N(CC)CC)s1
InChIInChI=1S/C11H17NO4S2/c1-4-12(5-2)18(14,15)10-8-7-9(17-10)11(13)16-6-3/h7-8H,4-6H2,1-3H3
InChIKeyQVTSDENZPDQXSX-UHFFFAOYSA-N
XLogP1.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate (CID 10880845) is ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate is CCOC(=O)c1ccc(S(=O)(=O)N(CC)CC)s1.
What is the InChIKey of ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is QVTSDENZPDQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-4-12(5-2)18(14,15)10-8-7-9(17-10)11(13)16-6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate?
ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 10880845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).