1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H20F2N4O3S2 — CID 27676149

About 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 27676149) has the molecular formula C17H20F2N4O3S2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 27676149
• Molecular Formula: C17H20F2N4O3S2
• Molecular Weight: 430.50 g/mol
• Exact Mass: 430.09
• IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
• SMILES: CCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)s1
• InChI: InChI=1S/C17H20F2N4O3S2/c1-2-3-15-21-22-17(27-15)20-16(24)11-6-8-23(9-7-11)28(25,26)14-10-12(18)4-5-13(14)19/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,22,24)
• InChIKey: UWWXSUJFUJBUHU-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 27676149) is 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)s1.

What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is UWWXSUJFUJBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S2/c1-2-3-15-21-22-17(27-15)20-16(24)11-6-8-23(9-7-11)28(25,26)14-10-12(18)4-5-13(14)19/h4-5,10-11H,2-3,6-9H2,1H3,(H,20,22,24).

What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?

1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 27676149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).