5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

C18H14N4O4S2 — CID 16802401

IUPAC5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2n1
InChIInChI=1S/C18H14N4O4S2/c1-11-2-7-15-14(20-11)10-16(26-15)17(23)21-12-3-5-13(6-4-12)28(24,25)22-18-19-8-9-27-18/h2-10H,1H3,(H,19,22)(H,21,23)
InChIKeyHHLGBCLNATYGHR-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.65
Rot. Bonds5

About 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide

5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 16802401) has the molecular formula C18H14N4O4S2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID16802401
Molecular FormulaC18H14N4O4S2
Molecular Weight414.47 g/mol
Exact Mass414.05
IUPAC Name5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2n1
InChIInChI=1S/C18H14N4O4S2/c1-11-2-7-15-14(20-11)10-16(26-15)17(23)21-12-3-5-13(6-4-12)28(24,25)22-18-19-8-9-27-18/h2-10H,1H3,(H,19,22)(H,21,23)
InChIKeyHHLGBCLNATYGHR-UHFFFAOYSA-N
XLogP3.65
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide (CID 16802401) is 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2n1.
What is the InChIKey of 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is HHLGBCLNATYGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4S2/c1-11-2-7-15-14(20-11)10-16(26-15)17(23)21-12-3-5-13(6-4-12)28(24,25)22-18-19-8-9-27-18/h2-10H,1H3,(H,19,22)(H,21,23).
What are the key properties of 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide?
5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 16802401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).