N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide

C30H24N4O2S — CID 118710018

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide (PubChem CID 118710018) has the molecular formula C30H24N4O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide
• PubChem CID: 118710018
• Molecular Formula: C30H24N4O2S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.16
• IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide
• SMILES: CCc1nnc(NC(=O)Cn2c(-c3ccc4ccccc4c3)cc(-c3ccccc3)c2-c2ccco2)s1
• InChI: InChI=1S/C30H24N4O2S/c1-2-28-32-33-30(37-28)31-27(35)19-34-25(23-15-14-20-9-6-7-12-22(20)17-23)18-24(21-10-4-3-5-11-21)29(34)26-13-8-16-36-26/h3-18H,2,19H2,1H3,(H,31,33,35)
• InChIKey: SMJBIUHPPHOENV-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide?

The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide (CID 118710018) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide.

What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide?

The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide is CCc1nnc(NC(=O)Cn2c(-c3ccc4ccccc4c3)cc(-c3ccccc3)c2-c2ccco2)s1.

What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide?

The InChIKey is SMJBIUHPPHOENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2S/c1-2-28-32-33-30(37-28)31-27(35)19-34-25(23-15-14-20-9-6-7-12-22(20)17-23)18-24(21-10-4-3-5-11-21)29(34)26-13-8-16-36-26/h3-18H,2,19H2,1H3,(H,31,33,35).

What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide?

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide has a molecular weight of 504.62 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(furan-2-yl)-5-naphthalen-2-yl-3-phenylpyrrol-1-yl]acetamide is sourced from PubChem (CID 118710018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).