ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate

C23H25N3O6S — CID 140935769

About ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate

ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate (PubChem CID 140935769) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate.

Molecular Properties

• Compound Name: ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate
• PubChem CID: 140935769
• Molecular Formula: C23H25N3O6S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.15
• IUPAC Name: ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate
• SMILES: CCOC(=O)C[C@H](NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(-c2cccc(OC)c2)s1
• InChI: InChI=1S/C23H25N3O6S/c1-4-32-20(28)13-16(24-23(30)25-21-17(27)10-11-26(2)22(21)29)19-9-8-18(33-19)14-6-5-7-15(12-14)31-3/h5-12,16,27H,4,13H2,1-3H3,(H2,24,25,30)/t16-/m0/s1
• InChIKey: OUIVTXPLOIHQAU-INIZCTEOSA-N
• XLogP: 3.64
• TPSA: 118.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate?

The IUPAC name of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate (CID 140935769) is ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate.

What is the SMILES notation for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate?

The canonical SMILES for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate is CCOC(=O)C[C@H](NC(=O)Nc1c(O)ccn(C)c1=O)c1ccc(-c2cccc(OC)c2)s1.

What is the InChIKey of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate?

The InChIKey is OUIVTXPLOIHQAU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-4-32-20(28)13-16(24-23(30)25-21-17(27)10-11-26(2)22(21)29)19-9-8-18(33-19)14-6-5-7-15(12-14)31-3/h5-12,16,27H,4,13H2,1-3H3,(H2,24,25,30)/t16-/m0/s1.

What are the key properties of ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate?

ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate has a molecular weight of 471.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[5-(3-methoxyphenyl)thiophen-2-yl]propanoate is sourced from PubChem (CID 140935769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).