(5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide

C30H36FN3O6S — CID 143383209

About (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 143383209) has the molecular formula C30H36FN3O6S and a molecular weight of 585.70 g/mol. Its IUPAC name is (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
• PubChem CID: 143383209
• Molecular Formula: C30H36FN3O6S
• Molecular Weight: 585.70 g/mol
• Exact Mass: 585.23
• IUPAC Name: (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
• SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C2=CC=CCC2)C(=O)O1)S(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/C30H36FN3O6S/c1-21(2)18-33(41(38,39)25-15-13-23(31)14-16-25)19-27(35)26(17-22-9-5-3-6-10-22)32-29(36)28-20-34(30(37)40-28)24-11-7-4-8-12-24/h3-7,9-11,13-16,21,26-28,35H,8,12,17-20H2,1-2H3,(H,32,36)/t26-,27+,28-/m0/s1
• InChIKey: RHJFXHMPKXGUBH-IARZGTGTSA-N
• XLogP: 3.62
• TPSA: 116.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.70
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The IUPAC name of (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 143383209) is (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C2=CC=CCC2)C(=O)O1)S(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?

The InChIKey is RHJFXHMPKXGUBH-IARZGTGTSA-N. The full InChI is InChI=1S/C30H36FN3O6S/c1-21(2)18-33(41(38,39)25-15-13-23(31)14-16-25)19-27(35)26(17-22-9-5-3-6-10-22)32-29(36)28-20-34(30(37)40-28)24-11-7-4-8-12-24/h3-7,9-11,13-16,21,26-28,35H,8,12,17-20H2,1-2H3,(H,32,36)/t26-,27+,28-/m0/s1.

What are the key properties of (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?

(5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 585.70 g/mol, XLogP of 3.62, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-cyclohexa-1,3-dien-1-yl-N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 143383209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).