phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate

C17H19NO5S2 — CID 1311854

IUPACphenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO5S2/c1-3-18(4-2)25(21,22)14-10-16(24-12-14)17(20)23-11-15(19)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyRIGQZWYXKOFOJX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.82
Rot. Bonds8

About phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate

phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate (PubChem CID 1311854) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namephenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate
PubChem CID1311854
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC Namephenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1
InChIInChI=1S/C17H19NO5S2/c1-3-18(4-2)25(21,22)14-10-16(24-12-14)17(20)23-11-15(19)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3
InChIKeyRIGQZWYXKOFOJX-UHFFFAOYSA-N
XLogP2.82
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate (CID 1311854) is phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate is CCN(CC)S(=O)(=O)c1csc(C(=O)OCC(=O)c2ccccc2)c1.
What is the InChIKey of phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is RIGQZWYXKOFOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-3-18(4-2)25(21,22)14-10-16(24-12-14)17(20)23-11-15(19)13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate?
phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-(diethylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 1311854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).