5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H25ClN4O4S — CID 58777752

About 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 58777752) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 58777752
• Molecular Formula: C22H25ClN4O4S
• Molecular Weight: 476.99 g/mol
• Exact Mass: 476.13
• IUPAC Name: 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CCC(=O)Nc1cc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCCC1
• InChI: InChI=1S/C22H25ClN4O4S/c1-2-20(28)25-16-11-14(5-6-17(16)26-9-3-4-10-26)27-13-15(31-22(27)30)12-24-21(29)18-7-8-19(23)32-18/h5-8,11,15H,2-4,9-10,12-13H2,1H3,(H,24,29)(H,25,28)
• InChIKey: NULTYLDBOJBWSQ-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.99
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 58777752) is 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCC(=O)Nc1cc(N2CC(CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1N1CCCC1.

What is the InChIKey of 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is NULTYLDBOJBWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-2-20(28)25-16-11-14(5-6-17(16)26-9-3-4-10-26)27-13-15(31-22(27)30)12-24-21(29)18-7-8-19(23)32-18/h5-8,11,15H,2-4,9-10,12-13H2,1H3,(H,24,29)(H,25,28).

What are the key properties of 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 476.99 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 58777752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).