N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

C26H29N5O3S — CID 46330820

About N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide

N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330820) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 46330820
• Molecular Formula: C26H29N5O3S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NC(C)c4ccccc4)CC3)s2)cc1
• InChI: InChI=1S/C26H29N5O3S/c1-17-8-10-21(11-9-17)28-23(33)24-29-30-25(35-24)26(34)31-14-12-19(13-15-31)16-22(32)27-18(2)20-6-4-3-5-7-20/h3-11,18-19H,12-16H2,1-2H3,(H,27,32)(H,28,33)
• InChIKey: OAFGRKCFCPGAOG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide (CID 46330820) is N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(C(=O)N3CCC(CC(=O)NC(C)c4ccccc4)CC3)s2)cc1.

What is the InChIKey of N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is OAFGRKCFCPGAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-17-8-10-21(11-9-17)28-23(33)24-29-30-25(35-24)26(34)31-14-12-19(13-15-31)16-22(32)27-18(2)20-6-4-3-5-7-20/h3-11,18-19H,12-16H2,1-2H3,(H,27,32)(H,28,33).

What are the key properties of N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide?

N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).