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

C20H21ClN4O4S2 — CID 41100117

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 41100117) has the molecular formula C20H21ClN4O4S2 and a molecular weight of 481.00 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 41100117
• Molecular Formula: C20H21ClN4O4S2
• Molecular Weight: 481.00 g/mol
• Exact Mass: 480.07
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)c(C)c1
• InChI: InChI=1S/C20H21ClN4O4S2/c1-12-3-4-15(13(2)11-12)19-23-24-20(29-19)22-18(26)14-7-9-25(10-8-14)31(27,28)17-6-5-16(21)30-17/h3-6,11,14H,7-10H2,1-2H3,(H,22,24,26)
• InChIKey: RZYNCXRVCWQWFY-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.00
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 41100117) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(-c2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)o2)c(C)c1.

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

The InChIKey is RZYNCXRVCWQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S2/c1-12-3-4-15(13(2)11-12)19-23-24-20(29-19)22-18(26)14-7-9-25(10-8-14)31(27,28)17-6-5-16(21)30-17/h3-6,11,14H,7-10H2,1-2H3,(H,22,24,26).

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

1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 481.00 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 41100117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).