2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide

C22H24N4O3S — CID 42757486

About 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide (PubChem CID 42757486) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
• PubChem CID: 42757486
• Molecular Formula: C22H24N4O3S
• Molecular Weight: 424.53 g/mol
• Exact Mass: 424.16
• IUPAC Name: 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide
• SMILES: CCC(C)C(NC(=O)c1ccccc1OC)C(=O)Nc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C22H24N4O3S/c1-4-14(2)18(23-19(27)16-12-8-9-13-17(16)29-3)20(28)24-22-26-25-21(30-22)15-10-6-5-7-11-15/h5-14,18H,4H2,1-3H3,(H,23,27)(H,24,26,28)
• InChIKey: HCLGPSNURXLIRI-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 93.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide (CID 42757486) is 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide.

What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1OC)C(=O)Nc1nnc(-c2ccccc2)s1.

What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

The InChIKey is HCLGPSNURXLIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-14(2)18(23-19(27)16-12-8-9-13-17(16)29-3)20(28)24-22-26-25-21(30-22)15-10-6-5-7-11-15/h5-14,18H,4H2,1-3H3,(H,23,27)(H,24,26,28).

What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide?

2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide has a molecular weight of 424.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide is sourced from PubChem (CID 42757486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).