(5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

C32H37F3N4O6S — CID 70285216

About (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

(5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 70285216) has the molecular formula C32H37F3N4O6S and a molecular weight of 662.73 g/mol. Its IUPAC name is (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
• PubChem CID: 70285216
• Molecular Formula: C32H37F3N4O6S
• Molecular Weight: 662.73 g/mol
• Exact Mass: 662.24
• IUPAC Name: (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide
• SMILES: CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2C(F)(F)F)C(=O)O1)S(=O)(=O)c1ccc(N)cc1
• InChI: InChI=1S/C32H37F3N4O6S/c1-3-21(2)18-38(46(43,44)24-15-13-23(36)14-16-24)19-28(40)26(17-22-9-5-4-6-10-22)37-30(41)29-20-39(31(42)45-29)27-12-8-7-11-25(27)32(33,34)35/h4-16,21,26,28-29,40H,3,17-20,36H2,1-2H3,(H,37,41)/t21-,26-,28+,29-/m0/s1
• InChIKey: RXQNEXMAZDLOIW-FQBKVGKCSA-N
• XLogP: 4.44
• TPSA: 142.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	662.73
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide?

The IUPAC name of (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide (CID 70285216) is (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide is CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccccc2C(F)(F)F)C(=O)O1)S(=O)(=O)c1ccc(N)cc1.

What is the InChIKey of (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide?

The InChIKey is RXQNEXMAZDLOIW-FQBKVGKCSA-N. The full InChI is InChI=1S/C32H37F3N4O6S/c1-3-21(2)18-38(46(43,44)24-15-13-23(36)14-16-24)19-28(40)26(17-22-9-5-4-6-10-22)37-30(41)29-20-39(31(42)45-29)27-12-8-7-11-25(27)32(33,34)35/h4-16,21,26,28-29,40H,3,17-20,36H2,1-2H3,(H,37,41)/t21-,26-,28+,29-/m0/s1.

What are the key properties of (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide?

(5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 662.73 g/mol, XLogP of 4.44, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 70285216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).