N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide

C22H23N5O5S — CID 3074710

IUPACN-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(-c2nnc(C3=CCN(NS(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)o2)cc1
InChIInChI=1S/C22H23N5O5S/c1-15(28)23-18-5-9-20(10-6-18)33(29,30)26-27-13-11-17(12-14-27)22-25-24-21(32-22)16-3-7-19(31-2)8-4-16/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKeyNAJIZWBJHQRZCC-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.69
Rot. Bonds7

About N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (PubChem CID 3074710) has the molecular formula C22H23N5O5S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
PubChem CID3074710
Molecular FormulaC22H23N5O5S
Molecular Weight469.52 g/mol
Exact Mass469.14
IUPAC NameN-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCOc1ccc(-c2nnc(C3=CCN(NS(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)o2)cc1
InChIInChI=1S/C22H23N5O5S/c1-15(28)23-18-5-9-20(10-6-18)33(29,30)26-27-13-11-17(12-14-27)22-25-24-21(32-22)16-3-7-19(31-2)8-4-16/h3-11,26H,12-14H2,1-2H3,(H,23,28)
InChIKeyNAJIZWBJHQRZCC-UHFFFAOYSA-N
XLogP2.69
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dimethoxy-phenyl)-acetamide
CID 3184984
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 4840854
2-(4-Methoxyphenyl)-5-[1-(phenylsulfonyl)-4-piperidyl]-1,3,4-oxadiazole
CID 20867408
N-(4-methoxyphenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162660683
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-methoxy-phenyl)-acetamide
CID 1167992
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 3989190
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 4969664
2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(4-sulfamoyl-phenyl)-acetamide
CID 135693224
Acetamide, N-(4-(((3,6-dihydro-4-(5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl)-1(2H)-pyridinyl)amino)sulfonyl)phenyl)-
CID 3074711
Acetamide, N-(4-(((3,6-dihydro-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1(2H)-pyridinyl)amino)sulfonyl)phenyl)-
CID 3074712
4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-1-(((4-(acetylamino)phenyl)sulfonyl)amino)-, ((4-methoxyphenyl)methylene)hydrazide
CID 9588920
N-(4-Ethoxyphenyl)-2-{[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 4042290

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (CID 3074710) is N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is COc1ccc(-c2nnc(C3=CCN(NS(=O)(=O)c4ccc(NC(C)=O)cc4)CC3)o2)cc1.
What is the InChIKey of N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is NAJIZWBJHQRZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5S/c1-15(28)23-18-5-9-20(10-6-18)33(29,30)26-27-13-11-17(12-14-27)22-25-24-21(32-22)16-3-7-19(31-2)8-4-16/h3-11,26H,12-14H2,1-2H3,(H,23,28).
What are the key properties of N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 469.52 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).