2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide

C23H25N5O5S — CID 55390832

IUPAC2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2)no1
InChIInChI=1S/C23H25N5O5S/c1-16-25-23(27-33-16)17-9-11-19(12-10-17)32-15-22(29)26-18-6-5-7-20(14-18)34(30,31)28-21-8-3-2-4-13-24-21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyTVJDVJMNDGYSLY-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.31
Rot. Bonds7

About 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide

2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide (PubChem CID 55390832) has the molecular formula C23H25N5O5S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
PubChem CID55390832
Molecular FormulaC23H25N5O5S
Molecular Weight483.55 g/mol
Exact Mass483.16
IUPAC Name2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
SMILESCc1nc(-c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2)no1
InChIInChI=1S/C23H25N5O5S/c1-16-25-23(27-33-16)17-9-11-19(12-10-17)32-15-22(29)26-18-6-5-7-20(14-18)34(30,31)28-21-8-3-2-4-13-24-21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,28)(H,26,29)
InChIKeyTVJDVJMNDGYSLY-UHFFFAOYSA-N
XLogP3.31
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide with MolForge

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390665
2-[(2-phenoxyacetyl)amino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 24645838
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 55385751
ethyl 4-oxo-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate
CID 9086897
2-[(4-methylphenyl)methylamino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 4597074
4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
3-(4-methoxyphenyl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 29283119
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
dimethyl 5-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55390871
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide (CID 55390832) is 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide is Cc1nc(-c2ccc(OCC(=O)Nc3cccc(S(=O)(=O)NC4=NCCCCC4)c3)cc2)no1.
What is the InChIKey of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide?
The InChIKey is TVJDVJMNDGYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5S/c1-16-25-23(27-33-16)17-9-11-19(12-10-17)32-15-22(29)26-18-6-5-7-20(14-18)34(30,31)28-21-8-3-2-4-13-24-21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,28)(H,26,29).
What are the key properties of 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide?
2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide has a molecular weight of 483.55 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 55390832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).