S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride

C26H29Cl2FN4O7S2 — CID 25169140

About S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride

S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride (PubChem CID 25169140) has the molecular formula C26H29Cl2FN4O7S2 and a molecular weight of 663.58 g/mol. Its IUPAC name is S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride.

Molecular Properties

• Compound Name: S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride
• PubChem CID: 25169140
• Molecular Formula: C26H29Cl2FN4O7S2
• Molecular Weight: 663.58 g/mol
• Exact Mass: 662.08
• IUPAC Name: S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride
• SMILES: CC(C)[C@H](N)C(=O)SCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl
• InChI: InChI=1S/C26H28ClFN4O7S2.ClH/c1-14(2)23(29)25(36)40-13-22(34)32(24(35)19-5-6-20(27)41-19)11-16-10-31(26(37)39-16)18-4-3-15(9-17(18)28)30-7-8-38-12-21(30)33;/h3-6,9,14,16,23H,7-8,10-13,29H2,1-2H3;1H/t16-,23+;/m1./s1
• InChIKey: OQNIKCOIGOGXME-LJTXTEAOSA-N
• XLogP: 3.56
• TPSA: 139.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.58
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride?

The IUPAC name of S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride (CID 25169140) is S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride.

What is the SMILES notation for S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride?

The canonical SMILES for S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride is CC(C)[C@H](N)C(=O)SCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1.Cl.

What is the InChIKey of S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride?

The InChIKey is OQNIKCOIGOGXME-LJTXTEAOSA-N. The full InChI is InChI=1S/C26H28ClFN4O7S2.ClH/c1-14(2)23(29)25(36)40-13-22(34)32(24(35)19-5-6-20(27)41-19)11-16-10-31(26(37)39-16)18-4-3-15(9-17(18)28)30-7-8-38-12-21(30)33;/h3-6,9,14,16,23H,7-8,10-13,29H2,1-2H3;1H/t16-,23+;/m1./s1.

What are the key properties of S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride?

S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride has a molecular weight of 663.58 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for S-[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] (2S)-2-amino-3-methylbutanethioate;hydrochloride is sourced from PubChem (CID 25169140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).