N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C23H21ClN4O6S — CID 91571365

About N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 91571365) has the molecular formula C23H21ClN4O6S and a molecular weight of 516.96 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• PubChem CID: 91571365
• Molecular Formula: C23H21ClN4O6S
• Molecular Weight: 516.96 g/mol
• Exact Mass: 516.09
• IUPAC Name: N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• SMILES: Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-c1cc[nH]c(=O)c1OCC(N)=O
• InChI: InChI=1S/C23H21ClN4O6S/c1-12-8-13(2-3-15(12)16-6-7-26-22(31)20(16)33-11-19(25)29)28-10-14(34-23(28)32)9-27-21(30)17-4-5-18(24)35-17/h2-8,14H,9-11H2,1H3,(H2,25,29)(H,26,31)(H,27,30)/t14-/m0/s1
• InChIKey: BLDAULGTTJEJER-AWEZNQCLSA-N
• XLogP: 2.68
• TPSA: 143.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.96
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The IUPAC name of N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 91571365) is N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide.

What is the SMILES notation for N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The canonical SMILES for N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is Cc1cc(N2C[C@H](CNC(=O)c3ccc(Cl)s3)OC2=O)ccc1-c1cc[nH]c(=O)c1OCC(N)=O.

What is the InChIKey of N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The InChIKey is BLDAULGTTJEJER-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21ClN4O6S/c1-12-8-13(2-3-15(12)16-6-7-26-22(31)20(16)33-11-19(25)29)28-10-14(34-23(28)32)9-27-21(30)17-4-5-18(24)35-17/h2-8,14H,9-11H2,1H3,(H2,25,29)(H,26,31)(H,27,30)/t14-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 516.96 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[3-(2-amino-2-oxoethoxy)-2-oxo-1H-pyridin-4-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 91571365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).