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

C16H15N3O4S2 — CID 1246241

IUPAC2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1
InChIInChI=1S/C16H15N3O4S2/c1-10-9-14(11(2)23-10)15(20)18-12-3-5-13(6-4-12)25(21,22)19-16-17-7-8-24-16/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyYTIKWNVHVMXLGR-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.41
Rot. Bonds5

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

2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide (PubChem CID 1246241) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
PubChem CID1246241
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC Name2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1
InChIInChI=1S/C16H15N3O4S2/c1-10-9-14(11(2)23-10)15(20)18-12-3-5-13(6-4-12)25(21,22)19-16-17-7-8-24-16/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyYTIKWNVHVMXLGR-UHFFFAOYSA-N
XLogP3.41
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide (CID 1246241) is 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
The InChIKey is YTIKWNVHVMXLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-10-9-14(11(2)23-10)15(20)18-12-3-5-13(6-4-12)25(21,22)19-16-17-7-8-24-16/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide?
2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 1246241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).