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

C32H37F3N4O7S — CID 53340634

About (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide (PubChem CID 53340634) has the molecular formula C32H37F3N4O7S and a molecular weight of 678.73 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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
• PubChem CID: 53340634
• Molecular Formula: C32H37F3N4O7S
• Molecular Weight: 678.73 g/mol
• Exact Mass: 678.23
• IUPAC Name: (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide
• SMILES: CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)C(=O)O1)S(=O)(=O)c1ccc(N)cc1
• InChI: InChI=1S/C32H37F3N4O7S/c1-3-21(2)18-38(47(43,44)26-15-9-23(36)10-16-26)19-28(40)27(17-22-7-5-4-6-8-22)37-30(41)29-20-39(31(42)45-29)24-11-13-25(14-12-24)46-32(33,34)35/h4-16,21,27-29,40H,3,17-20,36H2,1-2H3,(H,37,41)/t21-,27-,28+,29-/m0/s1
• InChIKey: RMJBRUMKLPCIGH-AOLGVVFKSA-N
• XLogP: 4.32
• TPSA: 151.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.73
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide (CID 53340634) is (5S)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[(2S)-2-methylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide is CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(c2ccc(OC(F)(F)F)cc2)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide?

The InChIKey is RMJBRUMKLPCIGH-AOLGVVFKSA-N. The full InChI is InChI=1S/C32H37F3N4O7S/c1-3-21(2)18-38(47(43,44)26-15-9-23(36)10-16-26)19-28(40)27(17-22-7-5-4-6-8-22)37-30(41)29-20-39(31(42)45-29)24-11-13-25(14-12-24)46-32(33,34)35/h4-16,21,27-29,40H,3,17-20,36H2,1-2H3,(H,37,41)/t21-,27-,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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide has a molecular weight of 678.73 g/mol, XLogP of 4.32, 14 rotatable bonds, 3 hydrogen bond donors, and 8 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-[4-(trifluoromethoxy)phenyl]-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 53340634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).