5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate

C24H24ClFN4O5S — CID 143317052

About 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate

5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 143317052) has the molecular formula C24H24ClFN4O5S and a molecular weight of 535.00 g/mol. Its IUPAC name is 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
• PubChem CID: 143317052
• Molecular Formula: C24H24ClFN4O5S
• Molecular Weight: 535.00 g/mol
• Exact Mass: 534.11
• IUPAC Name: 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate
• SMILES: COC(=O)C1CCCN1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F.NC(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C19H20FN3O4.C5H4ClNOS/c1-27-19(26)16-5-4-9-22(16)12-17(24)21-15-8-7-13(11-14(15)20)23-10-3-2-6-18(23)25;6-4-2-1-3(9-4)5(7)8/h2-3,6-8,10-11,16H,4-5,9,12H2,1H3,(H,21,24);1-2H,(H2,7,8)
• InChIKey: JRLXTIGBTCSMFX-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 123.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.00
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate?

The IUPAC name of 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate (CID 143317052) is 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate?

The canonical SMILES for 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CC(=O)Nc1ccc(-n2ccccc2=O)cc1F.NC(=O)c1ccc(Cl)s1.

What is the InChIKey of 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate?

The InChIKey is JRLXTIGBTCSMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4.C5H4ClNOS/c1-27-19(26)16-5-4-9-22(16)12-17(24)21-15-8-7-13(11-14(15)20)23-10-3-2-6-18(23)25;6-4-2-1-3(9-4)5(7)8/h2-3,6-8,10-11,16H,4-5,9,12H2,1H3,(H,21,24);1-2H,(H2,7,8).

What are the key properties of 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate?

5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 535.00 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chlorothiophene-2-carboxamide;methyl 1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 143317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).