3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C25H24ClN3O4S — CID 42841315

About 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42841315) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42841315
• Molecular Formula: C25H24ClN3O4S
• Molecular Weight: 498.00 g/mol
• Exact Mass: 497.12
• IUPAC Name: 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1C(c2cccc(NC(=O)c3cccs3)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C25H24ClN3O4S/c1-15(2)27-24(31)21-22(33-25(32)29(21)14-16-6-3-8-18(26)12-16)17-7-4-9-19(13-17)28-23(30)20-10-5-11-34-20/h3-13,15,21-22H,14H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: KKQLARQPIIMEJU-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.00
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42841315) is 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CC(C)NC(=O)C1C(c2cccc(NC(=O)c3cccs3)c2)OC(=O)N1Cc1cccc(Cl)c1.

What is the InChIKey of 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The InChIKey is KKQLARQPIIMEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c1-15(2)27-24(31)21-22(33-25(32)29(21)14-16-6-3-8-18(26)12-16)17-7-4-9-19(13-17)28-23(30)20-10-5-11-34-20/h3-13,15,21-22H,14H2,1-2H3,(H,27,31)(H,28,30).

What are the key properties of 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 498.00 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chlorophenyl)methyl]-2-oxo-N-propan-2-yl-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42841315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).