2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C20H19N3O5S — CID 39977662

IUPAC2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C20H19N3O5S/c1-27-18-11-4-3-10-17(18)23-29(25,26)15-8-5-7-14(13-15)22-19(24)16-9-6-12-21-20(16)28-2/h3-13,23H,1-2H3,(H,22,24)
InChIKeyZJSJNPOOEWLXCD-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.15
Rot. Bonds7

About 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 39977662) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID39977662
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C20H19N3O5S/c1-27-18-11-4-3-10-17(18)23-29(25,26)15-8-5-7-14(13-15)22-19(24)16-9-6-12-21-20(16)28-2/h3-13,23H,1-2H3,(H,22,24)
InChIKeyZJSJNPOOEWLXCD-UHFFFAOYSA-N
XLogP3.15
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 39977662) is 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cccnc2OC)c1.
What is the InChIKey of 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZJSJNPOOEWLXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-18-11-4-3-10-17(18)23-29(25,26)15-8-5-7-14(13-15)22-19(24)16-9-6-12-21-20(16)28-2/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 39977662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).