2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

C21H22N4O5S — CID 54782757

IUPAC2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H22N4O5S/c1-14-10-15(2)12-17(11-14)30-13-19(26)24-16-4-6-18(7-5-16)31(27,28)25-20-21(29-3)23-9-8-22-20/h4-12H,13H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyBJDYFLQWVLTRHI-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.92
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 54782757) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID54782757
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C21H22N4O5S/c1-14-10-15(2)12-17(11-14)30-13-19(26)24-16-4-6-18(7-5-16)31(27,28)25-20-21(29-3)23-9-8-22-20/h4-12H,13H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyBJDYFLQWVLTRHI-UHFFFAOYSA-N
XLogP2.92
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
2-(4-chloro-3-methylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782740
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-(2-bromo-4-phenylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782936
2-(3,5-dimethylphenoxy)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 21173375
2-(1-bromonaphthalen-2-yl)oxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 54782679
2-(3,5-dimethoxyphenoxy)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 92681019
3-(2-chlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]propanamide
CID 54783023
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
4-(2,4-dichlorophenyl)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]butanamide
CID 25041460

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide (CID 54782757) is 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is BJDYFLQWVLTRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-14-10-15(2)12-17(11-14)30-13-19(26)24-16-4-6-18(7-5-16)31(27,28)25-20-21(29-3)23-9-8-22-20/h4-12H,13H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 54782757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).