N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C24H31N5O4S — CID 6497546

About N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 6497546) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
• PubChem CID: 6497546
• Molecular Formula: C24H31N5O4S
• Molecular Weight: 485.61 g/mol
• Exact Mass: 485.21
• IUPAC Name: N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
• SMILES: CCOCCc1nnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)s1
• InChI: InChI=1S/C24H31N5O4S/c1-3-33-13-10-20-26-27-24(34-20)25-22(31)17-8-11-28(12-9-17)23(32)18-14-21(30)29(15-18)19-6-4-16(2)5-7-19/h4-7,17-18H,3,8-15H2,1-2H3,(H,25,27,31)
• InChIKey: JJNVMRGEIARGNW-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 104.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?

The IUPAC name of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 6497546) is N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?

The canonical SMILES for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is CCOCCc1nnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)s1.

What is the InChIKey of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?

The InChIKey is JJNVMRGEIARGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-3-33-13-10-20-26-27-24(34-20)25-22(31)17-8-11-28(12-9-17)23(32)18-14-21(30)29(15-18)19-6-4-16(2)5-7-19/h4-7,17-18H,3,8-15H2,1-2H3,(H,25,27,31).

What are the key properties of N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?

N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 6497546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).