N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

C32H38F3N3O8S — CID 71594158

About N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 71594158) has the molecular formula C32H38F3N3O8S and a molecular weight of 681.73 g/mol. Its IUPAC name is N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
• PubChem CID: 71594158
• Molecular Formula: C32H38F3N3O8S
• Molecular Weight: 681.73 g/mol
• Exact Mass: 681.23
• IUPAC Name: N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
• SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(O)[C@@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc(CO)cc1
• InChI: InChI=1S/C32H38F3N3O8S/c1-21(2)17-37(47(43,44)26-13-11-23(20-39)12-14-26)18-28(40)27(15-22-7-4-3-5-8-22)36-30(41)29-19-38(31(42)45-29)24-9-6-10-25(16-24)46-32(33,34)35/h3-14,16,21,27-30,36,39-41H,15,17-20H2,1-2H3/t27-,28+,29-,30?/m0/s1
• InChIKey: YWJVMANEEUVPOJ-AFPMMHFWSA-N
• XLogP: 3.63
• TPSA: 148.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	681.73
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?

The IUPAC name of N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 71594158) is N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.

What is the SMILES notation for N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?

The canonical SMILES for N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(O)[C@@H]1CN(c2cccc(OC(F)(F)F)c2)C(=O)O1)S(=O)(=O)c1ccc(CO)cc1.

What is the InChIKey of N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?

The InChIKey is YWJVMANEEUVPOJ-AFPMMHFWSA-N. The full InChI is InChI=1S/C32H38F3N3O8S/c1-21(2)17-37(47(43,44)26-13-11-23(20-39)12-14-26)18-28(40)27(15-22-7-4-3-5-8-22)36-30(41)29-19-38(31(42)45-29)24-9-6-10-25(16-24)46-32(33,34)35/h3-14,16,21,27-30,36,39-41H,15,17-20H2,1-2H3/t27-,28+,29-,30?/m0/s1.

What are the key properties of N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?

N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 681.73 g/mol, XLogP of 3.63, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S)-2-hydroxy-3-[[hydroxy-[(5S)-2-oxo-3-[3-(trifluoromethoxy)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-4-phenylbutyl]-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 71594158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).