5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

C18H23N5O5S — CID 53131924

IUPAC5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCCN3CCCC3=O)o2)cc1
InChIInChI=1S/C18H23N5O5S/c1-22(2)29(26,27)14-8-6-13(7-9-14)17-20-21-18(28-17)16(25)19-10-4-12-23-11-3-5-15(23)24/h6-9H,3-5,10-12H2,1-2H3,(H,19,25)
InChIKeyOXVMCUWPYPAGKW-UHFFFAOYSA-N
MW421.48 g/mol
LogP0.73
Rot. Bonds8

About 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide

5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53131924) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53131924
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC Name5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCCN3CCCC3=O)o2)cc1
InChIInChI=1S/C18H23N5O5S/c1-22(2)29(26,27)14-8-6-13(7-9-14)17-20-21-18(28-17)16(25)19-10-4-12-23-11-3-5-15(23)24/h6-9H,3-5,10-12H2,1-2H3,(H,19,25)
InChIKeyOXVMCUWPYPAGKW-UHFFFAOYSA-N
XLogP0.73
TPSA125.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011963
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
2-[(6aS)-3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 95074552
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
1-[3-(dimethylsulfamoylamino)propyl]-2-oxopyrrolidine
CID 51077674
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide (CID 53131924) is 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NCCCN3CCCC3=O)o2)cc1.
What is the InChIKey of 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is OXVMCUWPYPAGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5S/c1-22(2)29(26,27)14-8-6-13(7-9-14)17-20-21-18(28-17)16(25)19-10-4-12-23-11-3-5-15(23)24/h6-9H,3-5,10-12H2,1-2H3,(H,19,25).
What are the key properties of 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide?
5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53131924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).