ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

C23H25F2N3O6S — CID 4315332

About ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate

ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (PubChem CID 4315332) has the molecular formula C23H25F2N3O6S and a molecular weight of 509.53 g/mol. Its IUPAC name is ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
• PubChem CID: 4315332
• Molecular Formula: C23H25F2N3O6S
• Molecular Weight: 509.53 g/mol
• Exact Mass: 509.14
• IUPAC Name: ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate
• SMILES: CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O
• InChI: InChI=1S/C23H25F2N3O6S/c1-5-33-19(30)15-10-16(12(2)3)35-18(15)26-17(29)11-28-20(31)23(4,27-22(28)32)13-6-8-14(9-7-13)34-21(24)25/h6-10,12,21H,5,11H2,1-4H3,(H,26,29)(H,27,32)
• InChIKey: KJJZYCDZYUJBKX-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	4.06
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 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The IUPAC name of ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate (CID 4315332) is ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate.

What is the SMILES notation for ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The canonical SMILES for ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is CCOC(=O)c1cc(C(C)C)sc1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O.

What is the InChIKey of ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

The InChIKey is KJJZYCDZYUJBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O6S/c1-5-33-19(30)15-10-16(12(2)3)35-18(15)26-17(29)11-28-20(31)23(4,27-22(28)32)13-6-8-14(9-7-13)34-21(24)25/h6-10,12,21H,5,11H2,1-4H3,(H,26,29)(H,27,32).

What are the key properties of ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate?

ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate has a molecular weight of 509.53 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 4315332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).