N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide

C24H28N4O3S — CID 4609382

About N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide

N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide (PubChem CID 4609382) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide.

Molecular Properties

• Compound Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide
• PubChem CID: 4609382
• Molecular Formula: C24H28N4O3S
• Molecular Weight: 452.58 g/mol
• Exact Mass: 452.19
• IUPAC Name: N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide
• SMILES: CCCCCc1ccc(C(=O)NC(C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1
• InChI: InChI=1S/C24H28N4O3S/c1-4-5-6-7-17-8-10-18(11-9-17)22(30)25-16(2)21(29)26-24-28-27-23(32-24)19-12-14-20(31-3)15-13-19/h8-16H,4-7H2,1-3H3,(H,25,30)(H,26,28,29)
• InChIKey: SARKCWFDLZYSJE-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.58
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide?

The IUPAC name of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide (CID 4609382) is N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide.

What is the SMILES notation for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide?

The canonical SMILES for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)NC(C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1.

What is the InChIKey of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide?

The InChIKey is SARKCWFDLZYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-5-6-7-17-8-10-18(11-9-17)22(30)25-16(2)21(29)26-24-28-27-23(32-24)19-12-14-20(31-3)15-13-19/h8-16H,4-7H2,1-3H3,(H,25,30)(H,26,28,29).

What are the key properties of N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide?

N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]-4-pentylbenzamide is sourced from PubChem (CID 4609382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).