2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C17H16N4O4S2 — CID 2161641

IUPAC2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H16N4O4S2/c1-2-25-16-14(4-3-9-18-16)15(22)20-12-5-7-13(8-6-12)27(23,24)21-17-19-10-11-26-17/h3-11H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyVKFMLMYIMBZHGD-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.99
Rot. Bonds7

About 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 2161641) has the molecular formula C17H16N4O4S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID2161641
Molecular FormulaC17H16N4O4S2
Molecular Weight404.47 g/mol
Exact Mass404.06
IUPAC Name2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H16N4O4S2/c1-2-25-16-14(4-3-9-18-16)15(22)20-12-5-7-13(8-6-12)27(23,24)21-17-19-10-11-26-17/h3-11H,2H2,1H3,(H,19,21)(H,20,22)
InChIKeyVKFMLMYIMBZHGD-UHFFFAOYSA-N
XLogP2.99
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 2161641) is 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VKFMLMYIMBZHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S2/c1-2-25-16-14(4-3-9-18-16)15(22)20-12-5-7-13(8-6-12)27(23,24)21-17-19-10-11-26-17/h3-11H,2H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 2161641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).