N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

C24H28N4O4S2 — CID 133187702

About N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (PubChem CID 133187702) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
• PubChem CID: 133187702
• Molecular Formula: C24H28N4O4S2
• Molecular Weight: 500.65 g/mol
• Exact Mass: 500.16
• IUPAC Name: N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
• SMILES: COc1ccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)CCCc4ccccc4)C3)s2)cc1
• InChI: InChI=1S/C24H28N4O4S2/c1-32-21-13-11-19(12-14-21)23-26-27-24(33-23)25-22(29)20-10-5-15-28(17-20)34(30,31)16-6-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-17H2,1H3,(H,25,27,29)
• InChIKey: MAMWDUUVKBAALZ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 101.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.65
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide (CID 133187702) is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide.

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

The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is COc1ccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)CCCc4ccccc4)C3)s2)cc1.

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

The InChIKey is MAMWDUUVKBAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-32-21-13-11-19(12-14-21)23-26-27-24(33-23)25-22(29)20-10-5-15-28(17-20)34(30,31)16-6-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-17H2,1H3,(H,25,27,29).

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

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 500.65 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 133187702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).