5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide

C25H28ClFN4O6S — CID 25169270

About 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide (PubChem CID 25169270) has the molecular formula C25H28ClFN4O6S and a molecular weight of 567.04 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide
• PubChem CID: 25169270
• Molecular Formula: C25H28ClFN4O6S
• Molecular Weight: 567.04 g/mol
• Exact Mass: 566.14
• IUPAC Name: 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide
• SMILES: CNCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C25H28ClFN4O6S/c1-28-9-3-2-4-22(32)31(24(34)20-7-8-21(26)38-20)14-17-13-30(25(35)37-17)19-6-5-16(12-18(19)27)29-10-11-36-15-23(29)33/h5-8,12,17,28H,2-4,9-11,13-15H2,1H3/t17-/m1/s1
• InChIKey: UKXPJAXYVUDZCL-QGZVFWFLSA-N
• XLogP: 3.29
• TPSA: 108.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.04
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide (CID 25169270) is 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide is CNCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide?

The InChIKey is UKXPJAXYVUDZCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28ClFN4O6S/c1-28-9-3-2-4-22(32)31(24(34)20-7-8-21(26)38-20)14-17-13-30(25(35)37-17)19-6-5-16(12-18(19)27)29-10-11-36-15-23(29)33/h5-8,12,17,28H,2-4,9-11,13-15H2,1H3/t17-/m1/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide has a molecular weight of 567.04 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-[5-(methylamino)pentanoyl]thiophene-2-carboxamide is sourced from PubChem (CID 25169270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).