N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

C25H30Cl2N4O6S — CID 66674080

About N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 66674080) has the molecular formula C25H30Cl2N4O6S and a molecular weight of 585.51 g/mol. Its IUPAC name is N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
• PubChem CID: 66674080
• Molecular Formula: C25H30Cl2N4O6S
• Molecular Weight: 585.51 g/mol
• Exact Mass: 584.13
• IUPAC Name: N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
• SMILES: Cl.NCCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C25H29ClN4O6S.ClH/c26-21-10-9-20(37-21)24(33)30(22(31)4-2-1-3-11-27)15-19-14-29(25(34)36-19)18-7-5-17(6-8-18)28-12-13-35-16-23(28)32;/h5-10,19H,1-4,11-16,27H2;1H/t19-;/m1./s1
• InChIKey: QRHTXVZRRDESSD-FSRHSHDFSA-N
• XLogP: 3.70
• TPSA: 122.48 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	585.51
LogP ≤ 5	3.70
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 N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The IUPAC name of N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (CID 66674080) is N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.

What is the SMILES notation for N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The canonical SMILES for N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is Cl.NCCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

The InChIKey is QRHTXVZRRDESSD-FSRHSHDFSA-N. The full InChI is InChI=1S/C25H29ClN4O6S.ClH/c26-21-10-9-20(37-21)24(33)30(22(31)4-2-1-3-11-27)15-19-14-29(25(34)36-19)18-7-5-17(6-8-18)28-12-13-35-16-23(28)32;/h5-10,19H,1-4,11-16,27H2;1H/t19-;/m1./s1.

What are the key properties of N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?

N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 585.51 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-aminohexanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 66674080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).