N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C23H26N4O3S2 — CID 123458845

IUPACN-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1ccc(CNC(=O)c3cc4ccncc4s3)cc1)C2
InChIInChI=1S/C23H26N4O3S2/c1-27-18-4-5-19(27)12-17(11-18)26-32(29,30)20-6-2-15(3-7-20)13-25-23(28)21-10-16-8-9-24-14-22(16)31-21/h2-3,6-10,14,17-19,26H,4-5,11-13H2,1H3,(H,25,28)
InChIKeyHWWORNMRJQWPOR-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.13
Rot. Bonds6

About N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 123458845) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID123458845
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC NameN-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1C2CCC1CC(NS(=O)(=O)c1ccc(CNC(=O)c3cc4ccncc4s3)cc1)C2
InChIInChI=1S/C23H26N4O3S2/c1-27-18-4-5-19(27)12-17(11-18)26-32(29,30)20-6-2-15(3-7-20)13-25-23(28)21-10-16-8-9-24-14-22(16)31-21/h2-3,6-10,14,17-19,26H,4-5,11-13H2,1H3,(H,25,28)
InChIKeyHWWORNMRJQWPOR-UHFFFAOYSA-N
XLogP3.13
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 123458845) is N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is CN1C2CCC1CC(NS(=O)(=O)c1ccc(CNC(=O)c3cc4ccncc4s3)cc1)C2.
What is the InChIKey of N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is HWWORNMRJQWPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c1-27-18-4-5-19(27)12-17(11-18)26-32(29,30)20-6-2-15(3-7-20)13-25-23(28)21-10-16-8-9-24-14-22(16)31-21/h2-3,6-10,14,17-19,26H,4-5,11-13H2,1H3,(H,25,28).
What are the key properties of N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)sulfamoyl]phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 123458845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).