N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C20H20N4O6S2 — CID 16830209

IUPACN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C20H20N4O6S2/c1-31(26,27)16-8-6-15(7-9-16)19-22-23-20(30-19)21-18(25)14-4-10-17(11-5-14)32(28,29)24-12-2-3-13-24/h4-11H,2-3,12-13H2,1H3,(H,21,23,25)
InChIKeyCRNJGRUMPCXUPD-UHFFFAOYSA-N
MW476.54 g/mol
LogP2.18
Rot. Bonds6

About N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 16830209) has the molecular formula C20H20N4O6S2 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID16830209
Molecular FormulaC20H20N4O6S2
Molecular Weight476.54 g/mol
Exact Mass476.08
IUPAC NameN-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
InChIInChI=1S/C20H20N4O6S2/c1-31(26,27)16-8-6-15(7-9-16)19-22-23-20(30-19)21-18(25)14-4-10-17(11-5-14)32(28,29)24-12-2-3-13-24/h4-11H,2-3,12-13H2,1H3,(H,21,23,25)
InChIKeyCRNJGRUMPCXUPD-UHFFFAOYSA-N
XLogP2.18
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(N,N-dimethylsulfamoyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 2051050
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3-methylpiperidin-1-yl)sulfonyl]benzamide
CID 3242438
3-morpholin-4-ylsulfonyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2435548
N-(5-(2-(methylthio)phenyl)-1,3,4-oxadiazol-2-yl)-2-phenylacetamide
CID 7295015
4-[butyl(ethyl)sulfamoyl]-N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2158877
4-((3,5-dimethylpiperidin-1-yl)sulfonyl)-N-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 3242189
4-(2-methylpiperidin-1-yl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3244243
4-{[butyl(methyl)amino]sulfonyl}-N-(5-thien-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3245694
4-(N-methyl-N-((tetrahydrofuran-2-yl)methyl)sulfamoyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 18560915
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235641
2-(4-Methyl-benzylsulfanyl)-5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazole
CID 648399
N,N-Diethyl-2-{5-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide
CID 1152538

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 16830209) is N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CRNJGRUMPCXUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S2/c1-31(26,27)16-8-6-15(7-9-16)19-22-23-20(30-19)21-18(25)14-4-10-17(11-5-14)32(28,29)24-12-2-3-13-24/h4-11H,2-3,12-13H2,1H3,(H,21,23,25).
What are the key properties of N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 476.54 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 16830209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).