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

C26H26ClN3O4S — CID 93203030

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

(4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 93203030) has the molecular formula C26H26ClN3O4S and a molecular weight of 512.03 g/mol. Its IUPAC name is (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 93203030
• Molecular Formula: C26H26ClN3O4S
• Molecular Weight: 512.03 g/mol
• Exact Mass: 511.13
• IUPAC Name: (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CC(C)CNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3cccs3)c2)OC(=O)N1Cc1cccc(Cl)c1
• InChI: InChI=1S/C26H26ClN3O4S/c1-16(2)14-28-25(32)22-23(34-26(33)30(22)15-17-6-3-8-19(27)12-17)18-7-4-9-20(13-18)29-24(31)21-10-5-11-35-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31)/t22-,23-/m1/s1
• InChIKey: FKMSVVULIRTNDF-DHIUTWEWSA-N
• XLogP: 5.49
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.03
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 93203030) is (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

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

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

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

The InChIKey is FKMSVVULIRTNDF-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H26ClN3O4S/c1-16(2)14-28-25(32)22-23(34-26(33)30(22)15-17-6-3-8-19(27)12-17)18-7-4-9-20(13-18)29-24(31)21-10-5-11-35-21/h3-13,16,22-23H,14-15H2,1-2H3,(H,28,32)(H,29,31)/t22-,23-/m1/s1.

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

(4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 512.03 g/mol, XLogP of 5.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-3-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)-2-oxo-5-[3-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 93203030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).