2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

C23H19BrN4O5S — CID 54782679

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-32-23-22(25-12-13-26-23)28-34(30,31)17-9-7-16(8-10-17)27-20(29)14-33-19-11-6-15-4-2-3-5-18(15)21(19)24/h2-13H,14H2,1H3,(H,25,28)(H,27,29)
InChIKeyZJPAUWFHOLCXAS-UHFFFAOYSA-N
MW543.40 g/mol
LogP4.22
Rot. Bonds8

About 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 54782679) has the molecular formula C23H19BrN4O5S and a molecular weight of 543.40 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID54782679
Molecular FormulaC23H19BrN4O5S
Molecular Weight543.40 g/mol
Exact Mass542.03
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1
InChIInChI=1S/C23H19BrN4O5S/c1-32-23-22(25-12-13-26-23)28-34(30,31)17-9-7-16(8-10-17)27-20(29)14-33-19-11-6-15-4-2-3-5-18(15)21(19)24/h2-13H,14H2,1H3,(H,25,28)(H,27,29)
InChIKeyZJPAUWFHOLCXAS-UHFFFAOYSA-N
XLogP4.22
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782936
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
2-(1-bromonaphthalen-2-yl)oxy-N-(4-ethylsulfonylphenyl)acetamide
CID 37027688
2-(1-bromonaphthalen-2-yl)oxy-N-(4-sulfamoylphenyl)acetamide
CID 1186575
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782757
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 6737806
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (CID 54782679) is 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is ZJPAUWFHOLCXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O5S/c1-32-23-22(25-12-13-26-23)28-34(30,31)17-9-7-16(8-10-17)27-20(29)14-33-19-11-6-15-4-2-3-5-18(15)21(19)24/h2-13H,14H2,1H3,(H,25,28)(H,27,29).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 543.40 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 54782679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).