5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C23H22ClN3O5S — CID 25167065

About 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25167065) has the molecular formula C23H22ClN3O5S and a molecular weight of 487.97 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 25167065
• Molecular Formula: C23H22ClN3O5S
• Molecular Weight: 487.97 g/mol
• Exact Mass: 487.10
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: CCOc1cccn(-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2C)c1=O
• InChI: InChI=1S/C23H22ClN3O5S/c1-3-31-18-5-4-10-26(22(18)29)17-7-6-15(11-14(17)2)27-13-16(32-23(27)30)12-25-21(28)19-8-9-20(24)33-19/h4-11,16H,3,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1
• InChIKey: ZCTUBIYMRDYFET-INIZCTEOSA-N
• XLogP: 4.01
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.97
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25167065) is 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CCOc1cccn(-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2C)c1=O.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is ZCTUBIYMRDYFET-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22ClN3O5S/c1-3-31-18-5-4-10-26(22(18)29)17-7-6-15(11-14(17)2)27-13-16(32-23(27)30)12-25-21(28)19-8-9-20(24)33-19/h4-11,16H,3,12-13H2,1-2H3,(H,25,28)/t16-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 487.97 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-(3-ethoxy-2-oxo-1-pyridinyl)-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25167065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).