N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

C38H43ClN4O5SSi — CID 59586698

About N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide

N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (PubChem CID 59586698) has the molecular formula C38H43ClN4O5SSi and a molecular weight of 731.39 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
• PubChem CID: 59586698
• Molecular Formula: C38H43ClN4O5SSi
• Molecular Weight: 731.39 g/mol
• Exact Mass: 730.24
• IUPAC Name: N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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)ccc1N1CCCN(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O
• InChI: InChI=1S/C38H43ClN4O5SSi/c1-27-24-28(43-26-29(48-37(43)46)25-40-35(44)33-18-19-34(39)49-33)16-17-32(27)42-21-11-20-41(36(42)45)22-23-47-50(38(2,3)4,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,24,29H,11,20-23,25-26H2,1-4H3,(H,40,44)/t29-/m0/s1
• InChIKey: NTUQDQGJEHCCRQ-LJAQVGFWSA-N
• XLogP: 6.67
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.39
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide (CID 59586698) is N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-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)ccc1N1CCCN(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1=O.

What is the InChIKey of N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

The InChIKey is NTUQDQGJEHCCRQ-LJAQVGFWSA-N. The full InChI is InChI=1S/C38H43ClN4O5SSi/c1-27-24-28(43-26-29(48-37(43)46)25-40-35(44)33-18-19-34(39)49-33)16-17-32(27)42-21-11-20-41(36(42)45)22-23-47-50(38(2,3)4,30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-10,12-19,24,29H,11,20-23,25-26H2,1-4H3,(H,40,44)/t29-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide?

N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 731.39 g/mol, XLogP of 6.67, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-oxo-1,3-diazinan-1-yl]-3-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 59586698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).