N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H19N3O4S — CID 35915273

About N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 35915273) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 35915273
• Molecular Formula: C21H19N3O4S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.11
• IUPAC Name: N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1N1CCCC1=O
• InChI: InChI=1S/C21H19N3O4S/c1-13-12-17(23-20(26)16-8-5-11-28-16)29-19(13)21(27)22-14-6-2-3-7-15(14)24-10-4-9-18(24)25/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,27)(H,23,26)
• InChIKey: ZREFUWZSICWIER-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 91.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 35915273) is N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccccc1N1CCCC1=O.

What is the InChIKey of N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

The InChIKey is ZREFUWZSICWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-13-12-17(23-20(26)16-8-5-11-28-16)29-19(13)21(27)22-14-6-2-3-7-15(14)24-10-4-9-18(24)25/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,27)(H,23,26).

What are the key properties of N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?

N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35915273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).