N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide

C55H68F2N10O12S3 — CID 158300065

About N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide

N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide (PubChem CID 158300065) has the molecular formula C55H68F2N10O12S3 and a molecular weight of 1195.40 g/mol. Its IUPAC name is N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide.

Molecular Properties

• Compound Name: N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide
• PubChem CID: 158300065
• Molecular Formula: C55H68F2N10O12S3
• Molecular Weight: 1195.40 g/mol
• Exact Mass: 1194.41
• IUPAC Name: N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide
• SMILES: CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNS(C)(=O)=O)cc4)CC3)c(F)c2)C(=O)O1.CS(=O)(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CN)OC4=O)cc3F)CC2)cc1
• InChI: InChI=1S/C29H36FN5O6S2.C26H32FN5O6S/c1-3-27(42)31-18-23-19-35(29(38)41-23)22-8-9-25(24(30)16-22)33-12-14-34(15-13-33)28(37)11-10-26(36)21-6-4-20(5-7-21)17-32-43(2,39)40;1-39(36,37)29-16-18-2-4-19(5-3-18)24(33)8-9-25(34)31-12-10-30(11-13-31)23-7-6-20(14-22(23)27)32-17-21(15-28)38-26(32)35/h4-9,16,23,32H,3,10-15,17-19H2,1-2H3,(H,31,42);2-7,14,21,29H,8-13,15-17,28H2,1H3/t23-;21-/m00/s1
• InChIKey: GMJVURKSEQUNLP-IECDAOIRSA-N
• XLogP: 4.31
• TPSA: 270.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1195.40
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide?

The IUPAC name of N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide (CID 158300065) is N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide.

What is the SMILES notation for N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide?

The canonical SMILES for N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide is CCC(=S)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCC(=O)c4ccc(CNS(C)(=O)=O)cc4)CC3)c(F)c2)C(=O)O1.CS(=O)(=O)NCc1ccc(C(=O)CCC(=O)N2CCN(c3ccc(N4C[C@H](CN)OC4=O)cc3F)CC2)cc1.

What is the InChIKey of N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide?

The InChIKey is GMJVURKSEQUNLP-IECDAOIRSA-N. The full InChI is InChI=1S/C29H36FN5O6S2.C26H32FN5O6S/c1-3-27(42)31-18-23-19-35(29(38)41-23)22-8-9-25(24(30)16-22)33-12-14-34(15-13-33)28(37)11-10-26(36)21-6-4-20(5-7-21)17-32-43(2,39)40;1-39(36,37)29-16-18-2-4-19(5-3-18)24(33)8-9-25(34)31-12-10-30(11-13-31)23-7-6-20(14-22(23)27)32-17-21(15-28)38-26(32)35/h4-9,16,23,32H,3,10-15,17-19H2,1-2H3,(H,31,42);2-7,14,21,29H,8-13,15-17,28H2,1H3/t23-;21-/m00/s1.

What are the key properties of N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide?

N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide has a molecular weight of 1195.40 g/mol, XLogP of 4.31, 22 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]methanesulfonamide;N-[[(5S)-3-[3-fluoro-4-[4-[4-[4-(methanesulfonamidomethyl)phenyl]-4-oxobutanoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanethioamide is sourced from PubChem (CID 158300065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).