ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate

C24H29N3O6S — CID 41082088

About ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate

ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 41082088) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate
• PubChem CID: 41082088
• Molecular Formula: C24H29N3O6S
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.18
• IUPAC Name: ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate
• SMILES: CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)sc(C)c1CC
• InChI: InChI=1S/C24H29N3O6S/c1-6-16-14(3)34-20(19(16)21(29)33-7-2)25-18(28)13-27-22(30)24(4,26-23(27)31)12-15-10-8-9-11-17(15)32-5/h8-11H,6-7,12-13H2,1-5H3,(H,25,28)(H,26,31)/t24-/m0/s1
• InChIKey: CYQMFFYNVVIGLV-DEOSSOPVSA-N
• XLogP: 3.30
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate?

The IUPAC name of ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate (CID 41082088) is ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate.

What is the SMILES notation for ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate?

The canonical SMILES for ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(Cc3ccccc3OC)C2=O)sc(C)c1CC.

What is the InChIKey of ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate?

The InChIKey is CYQMFFYNVVIGLV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-6-16-14(3)34-20(19(16)21(29)33-7-2)25-18(28)13-27-22(30)24(4,26-23(27)31)12-15-10-8-9-11-17(15)32-5/h8-11H,6-7,12-13H2,1-5H3,(H,25,28)(H,26,31)/t24-/m0/s1.

What are the key properties of ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate?

ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-ethyl-2-[[2-[(4S)-4-[(2-methoxyphenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 41082088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).