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

C21H21N5O4S — CID 3074712

IUPACN-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C21H21N5O4S/c1-15(27)22-18-7-9-19(10-8-18)31(28,29)25-26-13-11-17(12-14-26)21-24-23-20(30-21)16-5-3-2-4-6-16/h2-11,25H,12-14H2,1H3,(H,22,27)
InChIKeyBDCUYRIKWVHNEA-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.68
Rot. Bonds6

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

N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (PubChem CID 3074712) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
PubChem CID3074712
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC NameN-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1
InChIInChI=1S/C21H21N5O4S/c1-15(27)22-18-7-9-19(10-8-18)31(28,29)25-26-13-11-17(12-14-26)21-24-23-20(30-21)16-5-3-2-4-6-16/h2-11,25H,12-14H2,1H3,(H,22,27)
InChIKeyBDCUYRIKWVHNEA-UHFFFAOYSA-N
XLogP2.68
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4830074
N-(2-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 1037259
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
4-[5-[4-(Dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 153526880
N-(3,5-Dimethyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 647708
N-(3-Acetyl-phenyl)-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 648484
N-(3,4-dimethylphenyl)-2-[[5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 650562
N-[4-(Azepane-1-sulfonyl)-phenyl]-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 652681
N-(4-Diethylsulfamoyl-phenyl)-2-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 653085
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 1803647
N-[4-[4-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]piperidino]sulfonylphenyl]acetamide
CID 16009119
N-(4-fluorophenyl)-2-[[5-(4-sulfamoylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 162654093

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide (CID 3074712) is N-[4-[[4-(5-phenyl-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-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NN2CC=C(c3nnc(-c4ccccc4)o3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is BDCUYRIKWVHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-15(27)22-18-7-9-19(10-8-18)31(28,29)25-26-13-11-17(12-14-26)21-24-23-20(30-21)16-5-3-2-4-6-16/h2-11,25H,12-14H2,1H3,(H,22,27).
What are the key properties of N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 439.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3074712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).