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

C23H26Cl2N4O6S — CID 66674203

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

N-(4-aminobutanoyl)-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 66674203) has the molecular formula C23H26Cl2N4O6S and a molecular weight of 557.46 g/mol. Its IUPAC name is N-(4-aminobutanoyl)-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-(4-aminobutanoyl)-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: 66674203
• Molecular Formula: C23H26Cl2N4O6S
• Molecular Weight: 557.46 g/mol
• Exact Mass: 556.10
• IUPAC Name: N-(4-aminobutanoyl)-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.NCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C23H25ClN4O6S.ClH/c24-19-8-7-18(35-19)22(31)28(20(29)2-1-9-25)13-17-12-27(23(32)34-17)16-5-3-15(4-6-16)26-10-11-33-14-21(26)30;/h3-8,17H,1-2,9-14,25H2;1H/t17-;/m1./s1
• InChIKey: UGVBNZZLUCBUIM-UNTBIKODSA-N
• XLogP: 2.92
• TPSA: 122.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.46
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutanoyl)-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-(4-aminobutanoyl)-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (CID 66674203) is N-(4-aminobutanoyl)-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-(4-aminobutanoyl)-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-(4-aminobutanoyl)-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.NCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1.

What is the InChIKey of N-(4-aminobutanoyl)-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 UGVBNZZLUCBUIM-UNTBIKODSA-N. The full InChI is InChI=1S/C23H25ClN4O6S.ClH/c24-19-8-7-18(35-19)22(31)28(20(29)2-1-9-25)13-17-12-27(23(32)34-17)16-5-3-15(4-6-16)26-10-11-33-14-21(26)30;/h3-8,17H,1-2,9-14,25H2;1H/t17-;/m1./s1.

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

N-(4-aminobutanoyl)-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 557.46 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminobutanoyl)-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 66674203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).