N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H27N5O6S — CID 169098098

About N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 169098098) has the molecular formula C22H27N5O6S and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 169098098
• Molecular Formula: C22H27N5O6S
• Molecular Weight: 489.55 g/mol
• Exact Mass: 489.17
• IUPAC Name: N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cn3)CC2)cc1
• InChI: InChI=1S/C22H27N5O6S/c1-16(28)23-14-19-15-27(22(29)33-19)17-3-8-21(24-13-17)25-9-11-26(12-10-25)34(30,31)20-6-4-18(32-2)5-7-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28)/t19-/m0/s1
• InChIKey: SKHOYDUMKGWMJO-IBGZPJMESA-N
• XLogP: 1.06
• TPSA: 121.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.55
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 169098098) is N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1ccc(S(=O)(=O)N2CCN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cn3)CC2)cc1.

What is the InChIKey of N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SKHOYDUMKGWMJO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N5O6S/c1-16(28)23-14-19-15-27(22(29)33-19)17-3-8-21(24-13-17)25-9-11-26(12-10-25)34(30,31)20-6-4-18(32-2)5-7-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,28)/t19-/m0/s1.

What are the key properties of N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 489.55 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 169098098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).