[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate

C26H32N4O5S — CID 67557093

IUPAC[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1CC(C)COC(=O)C(C)(C)C
InChIInChI=1S/C26H32N4O5S/c1-17(16-35-25(31)26(3,4)5)13-19-9-7-8-10-20(19)21-11-12-27-15-22(21)36(32,33)30-23-24(34-6)29-18(2)14-28-23/h7-12,14-15,17H,13,16H2,1-6H3,(H,28,30)
InChIKeyRYXCSJRMEJZYEE-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.42
Rot. Bonds9

About [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate

[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate (PubChem CID 67557093) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate
PubChem CID67557093
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC Name[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1CC(C)COC(=O)C(C)(C)C
InChIInChI=1S/C26H32N4O5S/c1-17(16-35-25(31)26(3,4)5)13-19-9-7-8-10-20(19)21-11-12-27-15-22(21)36(32,33)30-23-24(34-6)29-18(2)14-28-23/h7-12,14-15,17H,13,16H2,1-6H3,(H,28,30)
InChIKeyRYXCSJRMEJZYEE-UHFFFAOYSA-N
XLogP4.42
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate (CID 67557093) is [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate is COc1nc(C)cnc1NS(=O)(=O)c1cnccc1-c1ccccc1CC(C)COC(=O)C(C)(C)C.
What is the InChIKey of [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate?
The InChIKey is RYXCSJRMEJZYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-17(16-35-25(31)26(3,4)5)13-19-9-7-8-10-20(19)21-11-12-27-15-22(21)36(32,33)30-23-24(34-6)29-18(2)14-28-23/h7-12,14-15,17H,13,16H2,1-6H3,(H,28,30).
What are the key properties of [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate?
[3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate has a molecular weight of 512.63 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-pyridinyl]phenyl]-2-methylpropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 67557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).