2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C24H19FN4O2S2 — CID 18913046

About 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18913046) has the molecular formula C24H19FN4O2S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
• PubChem CID: 18913046
• Molecular Formula: C24H19FN4O2S2
• Molecular Weight: 478.57 g/mol
• Exact Mass: 478.09
• IUPAC Name: 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
• SMILES: Cc1nnc(NC(=O)C(Sc2cccc(NC(=O)c3ccccc3F)c2)c2ccccc2)s1
• InChI: InChI=1S/C24H19FN4O2S2/c1-15-28-29-24(32-15)27-23(31)21(16-8-3-2-4-9-16)33-18-11-7-10-17(14-18)26-22(30)19-12-5-6-13-20(19)25/h2-14,21H,1H3,(H,26,30)(H,27,29,31)
• InChIKey: WCLYCOLQXNVHHJ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.57
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18913046) is 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

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

The canonical SMILES for 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is Cc1nnc(NC(=O)C(Sc2cccc(NC(=O)c3ccccc3F)c2)c2ccccc2)s1.

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

The InChIKey is WCLYCOLQXNVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S2/c1-15-28-29-24(32-15)27-23(31)21(16-8-3-2-4-9-16)33-18-11-7-10-17(14-18)26-22(30)19-12-5-6-13-20(19)25/h2-14,21H,1H3,(H,26,30)(H,27,29,31).

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

2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).