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

C23H25ClN4O7S — CID 16722207

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

N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 16722207) has the molecular formula C23H25ClN4O7S and a molecular weight of 536.99 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 16722207
• Molecular Formula: C23H25ClN4O7S
• Molecular Weight: 536.99 g/mol
• Exact Mass: 536.11
• IUPAC Name: N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: NCCOCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1
• InChI: InChI=1S/C23H25ClN4O7S/c24-19-6-5-18(36-19)22(31)28(21(30)14-33-9-7-25)12-17-11-27(23(32)35-17)16-3-1-15(2-4-16)26-8-10-34-13-20(26)29/h1-6,17H,7-14,25H2/t17-/m1/s1
• InChIKey: KMSLXFNRZVMYAC-QGZVFWFLSA-N
• XLogP: 1.73
• TPSA: 131.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.99
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 16722207) is N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

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

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

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

The InChIKey is KMSLXFNRZVMYAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25ClN4O7S/c24-19-6-5-18(36-19)22(31)28(21(30)14-33-9-7-25)12-17-11-27(23(32)35-17)16-3-1-15(2-4-16)26-8-10-34-13-20(26)29/h1-6,17H,7-14,25H2/t17-/m1/s1.

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

N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 536.99 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-aminoethoxy)acetyl]-5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16722207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).