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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Related Compounds

Sulfalene
CID 9047
Necrosulfonamide
CID 1566236
N-(3-methoxypyrazin-2-yl)-4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzenesulfonamide
CID 1151278
N-(3-Methoxy-pyrazin-2-yl)-4-[3-(3-phenyl-acryloyl)-thioureido]-benzenesulfonamide
CID 1858963
N-({4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}carbamothioyl)benzamide
CID 1974274
4-[3-(2-Fluoro-benzoyl)-thioureido]-N-(3-methoxy-pyrazin-2-yl)-benzenesulfonamide
CID 3117870
N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-methylbenzamide
CID 1078905
N-(3-methoxypyrazin-2-yl)-4-[[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]amino]benzenesulfonamide
CID 1104333
4-Fluoro-N-{4-[(3-methoxypyrazin-2-YL)sulfamoyl]phenyl}benzamide
CID 1194340
4-fluoro-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 1950007
(E)-3-(4-fluorophenyl)-N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]prop-2-enamide
CID 1968675
N-(4-{[(3-methoxypyrazin-2-yl)amino]sulfonyl}phenyl)hexanamide
CID 2855055

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).