1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C24H25N5O5S — CID 17120192

About 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120192) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 17120192
• Molecular Formula: C24H25N5O5S
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.16
• IUPAC Name: 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(Cc2nnc(NC(=O)C3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)s2)cc1OC
• InChI: InChI=1S/C24H25N5O5S/c1-14(30)25-17-5-7-18(8-6-17)29-13-16(12-22(29)31)23(32)26-24-28-27-21(35-24)11-15-4-9-19(33-2)20(10-15)34-3/h4-10,16H,11-13H2,1-3H3,(H,25,30)(H,26,28,32)
• InChIKey: UESUYPQKWXJZBY-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 122.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 17120192) is 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cc2nnc(NC(=O)C3CC(=O)N(c4ccc(NC(C)=O)cc4)C3)s2)cc1OC.

What is the InChIKey of 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is UESUYPQKWXJZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-14(30)25-17-5-7-18(8-6-17)29-13-16(12-22(29)31)23(32)26-24-28-27-21(35-24)11-15-4-9-19(33-2)20(10-15)34-3/h4-10,16H,11-13H2,1-3H3,(H,25,30)(H,26,28,32).

What are the key properties of 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?

1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetamidophenyl)-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).