5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

C16H15N3O4S2 — CID 1086662

IUPAC5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1
InChIInChI=1S/C16H15N3O4S2/c1-2-12-5-8-14(23-12)15(20)18-11-3-6-13(7-4-11)25(21,22)19-16-17-9-10-24-16/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyIUOGNWLTPWLOKJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.35
Rot. Bonds6

About 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide

5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 1086662) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID1086662
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1
InChIInChI=1S/C16H15N3O4S2/c1-2-12-5-8-14(23-12)15(20)18-11-3-6-13(7-4-11)25(21,22)19-16-17-9-10-24-16/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyIUOGNWLTPWLOKJ-UHFFFAOYSA-N
XLogP3.35
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide (CID 1086662) is 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)o1.
What is the InChIKey of 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is IUOGNWLTPWLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-2-12-5-8-14(23-12)15(20)18-11-3-6-13(7-4-11)25(21,22)19-16-17-9-10-24-16/h3-10H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide?
5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1086662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).