5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C22H22N4O4S2 — CID 94089175

About 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94089175) has the molecular formula C22H22N4O4S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 94089175
• Molecular Formula: C22H22N4O4S2
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.11
• IUPAC Name: 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1
• InChI: InChI=1S/C22H22N4O4S2/c1-15(27)16-9-11-19(12-10-16)32(29,30)26-13-5-6-17(14-26)21-24-25-22(31-21)20(28)23-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,23,28)/t17-/m1/s1
• InChIKey: KATPUYAZAHPXSO-QGZVFWFLSA-N
• XLogP: 3.56
• TPSA: 109.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 94089175) is 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccccc4)s3)C2)cc1.

What is the InChIKey of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is KATPUYAZAHPXSO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O4S2/c1-15(27)16-9-11-19(12-10-16)32(29,30)26-13-5-6-17(14-26)21-24-25-22(31-21)20(28)23-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-14H2,1H3,(H,23,28)/t17-/m1/s1.

What are the key properties of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?

5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94089175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).