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

C23H26N4O6S — CID 58137034

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

N-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 58137034) has the molecular formula C23H26N4O6S and a molecular weight of 486.55 g/mol. Its IUPAC name is N-(3-aminopropanoyl)-5-methyl-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-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 58137034
• Molecular Formula: C23H26N4O6S
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: Cc1ccc(C(=O)N(C[C@H]2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)O2)C(=O)CCN)s1
• InChI: InChI=1S/C23H26N4O6S/c1-15-2-7-19(34-15)22(30)27(20(28)8-9-24)13-18-12-26(23(31)33-18)17-5-3-16(4-6-17)25-10-11-32-14-21(25)29/h2-7,18H,8-14,24H2,1H3/t18-/m1/s1
• InChIKey: DIGLNPDMCXOWSF-GOSISDBHSA-N
• XLogP: 1.76
• TPSA: 122.48 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	486.55
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropanoyl)-5-methyl-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-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 58137034) is N-(3-aminopropanoyl)-5-methyl-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-(3-aminopropanoyl)-5-methyl-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-(3-aminopropanoyl)-5-methyl-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is Cc1ccc(C(=O)N(C[C@H]2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)O2)C(=O)CCN)s1.

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

The InChIKey is DIGLNPDMCXOWSF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N4O6S/c1-15-2-7-19(34-15)22(30)27(20(28)8-9-24)13-18-12-26(23(31)33-18)17-5-3-16(4-6-17)25-10-11-32-14-21(25)29/h2-7,18H,8-14,24H2,1H3/t18-/m1/s1.

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

N-(3-aminopropanoyl)-5-methyl-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 486.55 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-aminopropanoyl)-5-methyl-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 58137034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).