1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide

C20H22ClN5O6S3 — CID 43977677

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide (PubChem CID 43977677) has the molecular formula C20H22ClN5O6S3 and a molecular weight of 560.08 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
• PubChem CID: 43977677
• Molecular Formula: C20H22ClN5O6S3
• Molecular Weight: 560.08 g/mol
• Exact Mass: 559.04
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide
• SMILES: CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)o2)cc1
• InChI: InChI=1S/C20H22ClN5O6S3/c1-25(2)34(28,29)14-8-6-13(7-9-14)19-23-24-20(32-19)22-18(27)15-5-3-4-12-26(15)35(30,31)17-11-10-16(21)33-17/h6-11,15H,3-5,12H2,1-2H3,(H,22,24,27)
• InChIKey: UAPDKMZSSZPEIT-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 142.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.08
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide (CID 43977677) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)C3CCCCN3S(=O)(=O)c3ccc(Cl)s3)o2)cc1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide?

The InChIKey is UAPDKMZSSZPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O6S3/c1-25(2)34(28,29)14-8-6-13(7-9-14)19-23-24-20(32-19)22-18(27)15-5-3-4-12-26(15)35(30,31)17-11-10-16(21)33-17/h6-11,15H,3-5,12H2,1-2H3,(H,22,24,27).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 560.08 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 43977677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).