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

C27H28ClN3O8S — CID 58137025

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

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 58137025) has the molecular formula C27H28ClN3O8S and a molecular weight of 590.05 g/mol. Its IUPAC name is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

• Compound Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate
• PubChem CID: 58137025
• Molecular Formula: C27H28ClN3O8S
• Molecular Weight: 590.05 g/mol
• Exact Mass: 589.13
• IUPAC Name: [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate
• SMILES: O=C(OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1)C1CCCC1
• InChI: InChI=1S/C27H28ClN3O8S/c28-22-10-9-21(40-22)25(34)31(24(33)16-38-26(35)17-3-1-2-4-17)14-20-13-30(27(36)39-20)19-7-5-18(6-8-19)29-11-12-37-15-23(29)32/h5-10,17,20H,1-4,11-16H2/t20-/m1/s1
• InChIKey: HXOXYJGDDWDAHQ-HXUWFJFHSA-N
• XLogP: 3.49
• TPSA: 122.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.05
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate (CID 58137025) is [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate.

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

The canonical SMILES for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate is O=C(OCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1)C1CCCC1.

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

The InChIKey is HXOXYJGDDWDAHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H28ClN3O8S/c28-22-10-9-21(40-22)25(34)31(24(33)16-38-26(35)17-3-1-2-4-17)14-20-13-30(27(36)39-20)19-7-5-18(6-8-19)29-11-12-37-15-23(29)32/h5-10,17,20H,1-4,11-16H2/t20-/m1/s1.

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

[2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 590.05 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-chlorothiophene-2-carbonyl)-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]amino]-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 58137025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).