1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C20H26N4O4S2 — CID 16548044

About 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 16548044) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 16548044
• Molecular Formula: C20H26N4O4S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.14
• IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CC(C)C)s3)CC2)cc1
• InChI: InChI=1S/C20H26N4O4S2/c1-13(2)12-18-22-23-20(29-18)21-19(26)16-8-10-24(11-9-16)30(27,28)17-6-4-15(5-7-17)14(3)25/h4-7,13,16H,8-12H2,1-3H3,(H,21,23,26)
• InChIKey: HHSRKNGLZADRBO-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 109.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 16548044) is 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(CC(C)C)s3)CC2)cc1.

What is the InChIKey of 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is HHSRKNGLZADRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-13(2)12-18-22-23-20(29-18)21-19(26)16-8-10-24(11-9-16)30(27,28)17-6-4-15(5-7-17)14(3)25/h4-7,13,16H,8-12H2,1-3H3,(H,21,23,26).

What are the key properties of 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylphenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 16548044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).