N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

C19H19N5O6S2 — CID 2193649

IUPACN-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N5O6S2/c1-13(25)22-14-3-7-16(8-4-14)31(26,27)23-15-5-9-17(10-6-15)32(28,29)24-18-19(30-2)21-12-11-20-18/h3-12,23H,1-2H3,(H,20,24)(H,22,25)
InChIKeyYOXKZWYAQYUILS-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.05
Rot. Bonds8

About N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 2193649) has the molecular formula C19H19N5O6S2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID2193649
Molecular FormulaC19H19N5O6S2
Molecular Weight477.52 g/mol
Exact Mass477.08
IUPAC NameN-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N5O6S2/c1-13(25)22-14-3-7-16(8-4-14)31(26,27)23-15-5-9-17(10-6-15)32(28,29)24-18-19(30-2)21-12-11-20-18/h3-12,23H,1-2H3,(H,20,24)(H,22,25)
InChIKeyYOXKZWYAQYUILS-UHFFFAOYSA-N
XLogP2.05
TPSA156.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide (CID 2193649) is N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is YOXKZWYAQYUILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O6S2/c1-13(25)22-14-3-7-16(8-4-14)31(26,27)23-15-5-9-17(10-6-15)32(28,29)24-18-19(30-2)21-12-11-20-18/h3-12,23H,1-2H3,(H,20,24)(H,22,25).
What are the key properties of N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).